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

CAS: 58691-88-6 Cat. No.: N336521 分子式: C₂₁H₂₈O₃ 分子量: 328.46 PubChem CID: 68783

GRADE & PURITY 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

概要

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

Specifications

同義語

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]

仕様と純度

Moligand™, ≥95%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Progesterone receptor agonist

純度

≥95%

製品の性質

ALogP

2

名前と識別子

カノニカル・スマイル

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

異性体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

分子量

328.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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