Salicylic acid - Moligand™, ACS, ≥99% , CAS No.69-72-7

CAS: 69-72-7 Cat. No.: S104162 Formula: C₇H₆O₃ Peso molecolare: 138.12 Beilstein Registry Number: 774890 Numero EC: 200-712-3 PubChem CID: 338

GRADE & PURITY Moligand™, ACS, ≥99%

Synonyms

DHS Sal Shampoo | Domerine | DTXSID7026368 | Salicylic acid (TN) | 2-Carboxyphenol | Duofil wart remover | Durasal | SALICYLIC ACID (USP-RS) | Saligel | Hydrisalic Gel | SALICYLIC ACID (USP) | salicylicum acidum | Advanced pain relief callus removers | Du

Storage

Protected from light,Room temperature

Shipped In

Normal

Panoramica

Salicylic acid is a natural product extract from Willow bark, well known as an antiinflammatory and antinociceptive agent and a close structural relative to acetylsalicylic acid (aspirin). Salicylic acid is a ubiquitous plant hormone with many regulatory functions involved in local disease resistance mechanisms and systemic acquired resistance. The antiinflammatory and antinociceptive effects produced by Salicylic acid and its derivatives in animals are due to inhibition of COX-1 and COX-2 (cyclooxygenase) enzyme activity and suppression of prostaglandin biosynthesis. Salicylic acid is also of interest as a starting material for the organic synthesis of more elaborate COX suppressors and other chemical structures

Specifications

Sinonimi

DHS Sal Shampoo | Domerine | DTXSID7026368 | Salicylic acid (TN) | 2-Carboxyphenol | Duofil wart remover | Durasal | SALICYLIC ACID (USP-RS) | Saligel | Hydrisalic Gel | SALICYLIC ACID (USP) | salicylicum acidum | Advanced pain relief callus removers | Du

Specifiche e purezza

Moligand™, ACS, ≥99%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

Normal

Grado

ACS, Moligand™

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

508814453

Sorrisi canonici

C1=CC=C(C(=C1)C(=O)O)O

IUPAC Name

2-hydroxybenzoic acid

InChIKey

YGSDEFSMJLZEOE-UHFFFAOYSA-N

INCHI

1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)

Isomeri SMILES

C1=CC=C(C(=C1)C(=O)O)O

WGK Germania

1

RTECS

VO0525000

PubChem CID

338

Peso molecolare

138.12

Beilstein

774890

Reaxy-Rn

774890

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Salicylic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylic acids
• Alternative Parents: Benzoic acids Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Salicylic acid - Benzoic acid - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
• External Descriptors: monohydroxybenzoic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

HMGB1 Tchem High mobility group protein B1 (2 Activities)

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NAPRT Tchem Nicotinate phosphoribosyltransferase (2 Activities)

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ASIC3 Tchem Acid-sensing ion channel 3 (1 Activities)

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PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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HMGCR Tclin HMG-CoA reductase (2475 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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TYR Tclin Tyrosinase (717 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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DRD4 Tchem Dopamine D4 receptor (7907 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

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HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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CALCR Tclin Calcitonin receptor (2215 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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XDH Tclin Xanthine dehydrogenase (1038 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)

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ESR2 Tclin Estrogen receptor beta (9272 Activities)

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CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (2118 Activities)

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ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

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Obiettivi associati (non umani)

Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)

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Mc4r Melanocortin receptor 4 (1205 Activities)

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Ca7 Carbonic anhydrase VII (3 Activities)

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Ltc4s Leukotriene C4 synthase (1 Activities)

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Sigmar1 Sigma opioid receptor (160 Activities)

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Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Trypsin (394 Activities)

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Cckar Cholecystokinin A receptor (90 Activities)

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PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

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Gusb Beta-glucuronidase (17 Activities)

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Ca13 Carbonic anhydrase XIII (322 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

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CA4 Carbonic anhydrase IV (1713 Activities)

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Nos2 Nitric oxide synthase, inducible (3573 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Mmp2 Matrix metalloproteinase-2 (12 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

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HD1 Histone deacetylase (38 Activities)

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Carbonic anhydrase (69 Activities)

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Ralstonia solanacearum (520 Activities)

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Staphylococcus aureus (210822 Activities)

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Klebsiella aerogenes (4963 Activities)

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Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Nicotiana tabacum (382 Activities)

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Cutibacterium acnes (887 Activities)

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Glycine max (342 Activities)

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Triticum aestivum (1582 Activities)

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Phytophthora capsici (336 Activities)

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Meloidogyne incognita (862 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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MDCK (10148 Activities)

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RAW264.7 (28094 Activities)

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lef Anthrax lethal factor (7585 Activities)

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yopH Tyrosine-protein phosphatase yopH (49 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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PLCG1 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-1 (24 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Slc22a20 Solute carrier family 22 member 20 (86 Activities)

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Slc22a6 Solute carrier family 22 member 6 (141 Activities)

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Ca15 Carbonic anhydrase 15 (173 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Aspergillus parasiticus (296 Activities)

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Lasiodiplodia theobromae (193 Activities)

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Pythium aphanidermatum (174 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (1.8 g/L),
• Sensibilità: Light sensitive.
• Punto di infiammabilità (°C): 157℃
• Punto di ebollizione (°C): 211°C
• Punto di fusione (°C): 158-161°C
• Peso molecolare: 138.120 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.032 Da
• Monoisotopic Mass: 138.032 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1