Pamabrom - ≥98% , CAS No.606-04-2

CAS: 606-04-2 Cat. No.: P126084 Formule: C₁₁H₁₈BrN₅O₃ Poids moléculaire: 348.2 Numéro CE: 210-103-4

GRADE & PURITY ≥98%

Synonyms

HY-17391 | PAMABROM (MART.) | PAMABROM [VANDF] | Midol Bloat Relief | MFCD00867328 | T72689 | DiurexMax | 2-amino-2-methyl-1-propanol-8-bromotheophyllinate | 8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione compound with 2-amino-2-methylpropan-1-ol (1

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Vue d’ensemble

Pamabron est un diurétique courant en vente libre, utilisé pour soulager les symptômes associés aux menstruations. L'ingrédient diurétique actif du pamabrom est la 8-bromothéophylline. Pamabrom est disponible en association avec de l'acétaminophène (paracétamol) pour diverses affections telles que les douleurs dorsales et le soulagement des règles. L'acétaminophène aide à réduire les douleurs menstruelles et le pamabrom réduit les ballonnements associés

Specifications

Synonymes

HY-17391 | PAMABROM (MART.) | PAMABROM [VANDF] | Midol Bloat Relief | MFCD00867328 | T72689 | DiurexMax | 2-amino-2-methyl-1-propanol-8-bromotheophyllinate | 8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione compound with 2-amino-2-methylpropan-1-ol (1

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Pamabron est un diurétique courant en vente libre, utilisé pour soulager les symptômes associés aux menstruations. L'ingrédient diurétique actif du pamabrom est la 8-bromothéophylline. Pamabrom est disponible en association avec de l'acét

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 508813714
• Sourires canoniques: CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br
• IUPAC Name: 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione
• InChIKey: ATOTUUBRFJHZQG-UHFFFAOYSA-N
• INCHI: 1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
• Isomères SMILES: CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br
• Poids moléculaire: 348.2
• Reaxy-Rn: 3789996
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3789996&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Xanthines
• Alternative Parents: 6-oxopurines Alkaloids and derivatives Pyrimidones Aryl bromides Vinylogous amides Heteroaromatic compounds Imidazoles Ureas 1,2-aminoalcohols Lactams Azacyclic compounds Monoalkylamines Primary alcohols Organic oxides Organobromides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Aryl bromide - Aryl halide - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - 1,2-aminoalcohol - Lactam - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Primary alcohol - Organic nitrogen compound - Primary amine - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
• External Descriptors: Not available

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

Cibles associées (humaines)

Homo sapiens (32628 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO
• Point de fusion (°C): 295 °C(dec.)
• Poids moléculaire: 348.200 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 347.059 Da
• Monoisotopic Mass: 347.059 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 340.000
• 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: 2

XLogP3