methicillin - Moligand™ , CAS No.61-32-5

CAS: 61-32-5 Cat. No.: M611815 Numero EC: 200-505-8 PubChem CID: 6087

GRADE & PURITY Moligand™

Synonyms

DTXSID6023284 | BRD-K34388247-236-02-5 | KBio2_001473 | KBio2_006609 | KBioSS_001473 | Meticilline [INN-French] | BSPBio_001987 | Methcillin | BDBM50103523 | Metacillin | 2,6-dimethoxyphenyl penicillin | Meticilina [INN-Spanish] | DivK1c_000100 | EINECS 2

Storage

Room temperature

Specifications

Sinonimi

DTXSID6023284 | BRD-K34388247-236-02-5 | KBio2_001473 | KBio2_006609 | KBioSS_001473 | Meticilline [INN-French] | BSPBio_001987 | Methcillin | BDBM50103523 | Metacillin | 2,6-dimethoxyphenyl penicillin | Meticilina [INN-Spanish] | DivK1c_000100 | EINECS 2

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Nomi e identificatori

• Sorrisi canonici: CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)C
• IUPAC Name: (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• InChIKey: RJQXTJLFIWVMTO-TYNCELHUSA-N
• INCHI: 1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1
• Isomeri SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)C
• CAS alternativo: 132-92-3,61-32-5,7246-14-2 (mono-hydrochloride salt,monohydrate)
• PubChem CID: 6087
• Termini MeSH: Dimethoxyphenyl Penicillin;Methicillin;Methicillin Hydrate, Monosodium Salt;Methicillin Monohydrate, Monosodium Salt;Methicillin Sodium;Meticillin;Metin;Penicillin, Dimethoxyphenyl;Staphcillin

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Penicillins N-acyl-alpha amino acids and derivatives Dimethoxybenzenes Benzamides Anisoles Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Tertiary carboxylic acid amides Thiazolidines Azetidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid or derivatives - Benzamide - Penam - Phenoxy compound - Phenol ether - Benzoyl - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Carboxamide group - Azetidine - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: penicillin

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

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 380.400 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 380.104 Da
• Monoisotopic Mass: 380.104 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 600.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 61-32-5. InChIKey RJQXTJLFIWVMTO-TYNCELHUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.