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

CAS: 1961-77-9 Cat. No.: C346107 Fórmula: C₂₁H₂₇ClO₃ Peso molecular: 362.89 Número CE: 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

Visão geral

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

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

• pKa: pKa: 12.87 (Predicted)

Nomes e identificadores

• Pubchem Sid: 528772715
• Sorrisos canónicos: 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
• SMILES isoméricas: 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
• Peso molecular: 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
    • 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 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
• Descrição: 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

Alvos associados (não humanos)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in methanol, chloroform, and dioxane.
• Índice de refração: n20D1.58 (Predicted)
• Ponto de ebulição (°C): ~506.7° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 196-199° C (dec.)
• Peso molecular: 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