16beta-Chloroandrost-4-ene-3,17-dione

HCID 239803

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Basic information

CAS: 6298-20-0
Standard SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](Cl)C[C@@H]12
InChIKey: KZGAWCNISQUJCJ-HKQXQEGQSA-N
Molecular formula: C19H25ClO2
Average molar mass: 320.9 g/mol
Monoisotopic mass: 320.1543077

Overview

16beta-Chloroandrost-4-ene-3,17-dione is a 3-hydroxy steroid. It has a role as an androgen.

Names & identifiers

Preferred name: 16beta-Chloroandrost-4-ene-3,17-dione
IUPAC: (8R,9S,10R,13S,14S,16S)-16-chloro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Names & synonyms

16beta-Chloroandrost-4-ene-3,17-dione6298-20-0CHEBI:79533NSC45413NSC-45413(8R,9S,10R,13S,14S,16S)-16-chloro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneQ27148633

Database identifiers

CAS: 6298-20-0
PubChem CID: 239803
ChEBI: CHEBI:79533
Nikkaji: J2.791.527B

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 580

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