Chlormadinone - ≥98% , CAS No.1961-77-9

CAS: 1961-77-9 Cat. No.: C346107 分子式: C₂₁H₂₇ClO₃ 分子量: 362.89 EC番号: 217-802-3

GRADE & PURITY ≥98%

Synonyms

AS-14686 | BCP16136 | Chlormadinonum | Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy- | UNII-SDS4N642GG | SMR004701479 | Q905012 | 6-CHLORO-6-DEHYDRO-17.ALPHA.-HYROXYPROGESTERONE | MLS006010797 | Clormadinona [INN-Spanish] | Clormadinona | Clormadinone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Chlormadinone is a compound used in reproductive research.

Chlormadinone is an antiandrogen drug. Chlormadinone combined with Tamsulosin shows greater improvement in subjective symptoms of BPH

Specifications

同義語

AS-14686 | BCP16136 | Chlormadinonum | Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy- | UNII-SDS4N642GG | SMR004701479 | Q905012 | 6-CHLORO-6-DEHYDRO-17.ALPHA.-HYROXYPROGESTERONE | MLS006010797 | Clormadinona [INN-Spanish] | Clormadinona | Clormadinone

仕様と純度

≥98%

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。

純度

≥98%

製品の性質

• pKa: pKa: 12.87 (Predicted)

名前と識別子

• パブケム・シド: 528772715
• カノニカル・スマイル: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)O
• IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
• InChIKey: VUHJZBBCZGVNDZ-TTYLFXKOSA-N
• INCHI: 1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1
• 異性体SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)O
• 分子量: 362.89
• Reaxy-Rn: 37825928
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37825928&ln=

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 Halogenated steroids 3-oxosteroids 17-hydroxysteroids Cyclohexenones Tertiary alcohols Alpha-hydroxy ketones Cyclic alcohols and derivatives Vinyl chlorides Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 20-oxosteroid - 3-oxosteroid - 6-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - 17-hydroxysteroid - Cyclohexenone - Cyclic alcohol - Tertiary alcohol - Alpha-hydroxy ketone - Cyclic ketone - Ketone - Vinyl chloride - Vinyl halide - Haloalkene - Chloroalkene - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxygen compound - Organooxygen compound - Organic oxide - 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

関連ターゲット（非人間）

Rattus norvegicus (775804 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in methanol, chloroform, and dioxane.
• 屈折率: n20D1.58 (Predicted)
• 沸点（°C）: ~506.7° C at 760 mmHg (Predicted)
• 融点（°C）: 196-199° C (dec.)
• 分子量: 362.900 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 362.165 Da
• Monoisotopic Mass: 362.165 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 723.000
• 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