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

CAS: 58691-88-6 Cat. No.: N336521 분자식: C₂₁H₂₈O₃ 분자량: 328.46 PubChem CID: 68783

등급 & 순도 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

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Nomegestrol is a progestogen, derivatives of which are used in contraceptives and hormone therapies.

사양

동의어

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]

사양 및 순도

Moligand™, ≥95%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Progesterone receptor agonist

순수함

≥95%

제품 특성

ALogP

2

이름과 식별자

정식 스마일

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

이성체 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

분자량

328.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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