Nomegestrol - Moligand™, ≥95% , Progesterone receptor agonist, CAS No.58691-88-6, Progesterone receptor agonist

CAS: 58691-88-6 Cat. No.: N336521 Formule: C₂₁H₂₈O₃ Poids moléculaire: 328.46 PubChem CID: 68783

QUALITÉ & PURETÉ Moligand™, ≥95%

Synonyms

17-Hydroxy-6-methyl-19-nor-4,6-pregnadiene-3,20-dione | Nomegestrol (USAN/INN) | A831979 | Q1722024 | SCHEMBL139763 | Nomegestrolum [Latin] | 17-Hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione | UNII-10F89177CO | 10F89177CO | Nomegestrol [USAN:INN:BAN]

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

Le nomégestrol est un progestatif dont les dérivés sont utilisés dans les contraceptifs et les thérapies hormonales.

Spécifications

Synonymes

17-Hydroxy-6-methyl-19-nor-4,6-pregnadiene-3,20-dione | Nomegestrol (USAN/INN) | A831979 | Q1722024 | SCHEMBL139763 | Nomegestrolum [Latin] | 17-Hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione | UNII-10F89177CO | 10F89177CO | Nomegestrol [USAN:INN:BAN]

Spécifications et pureté

Moligand™, ≥95%

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Progesterone receptor agonist

Pureté

≥95%

Propriétés du produit

ALogP

2

Noms et identifiants

Sourires canoniques

CC1=CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4C1=CC(=O)CC4

IUPAC Name

(8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,13-dimethyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

InChIKey

KZUIYQJTUIACIG-YBZCJVABSA-N

INCHI

1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3/t15-,16-,18-,19+,20+,21+/m1/s1

Isomères SMILES

CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@H]4C1=CC(=O)CC4

PubChem CID

68783

Poids moléculaire

328.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Pregnane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Pregnane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Gluco/mineralocorticoids, progestogins and derivatives
• Alternative Parents: 20-oxosteroids 3-oxosteroids 17-hydroxysteroids Cyclohexenones Tertiary alcohols Alpha-hydroxy ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 20-oxosteroid - 3-oxosteroid - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - Cyclohexenone - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Cyclic ketone - Ketone - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 328.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 328.204 Da
• Monoisotopic Mass: 328.204 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 673.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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