6-(Dibromomethylene)testosterone

Substructure search Find similar structures

Basic information

CAS: 5585-80-8
Standard SMILES: C[C@]12CC[C@H]3[C@@H](CC(=C(Br)Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
InChIKey: XDDMZNADWGQPRQ-CERPAYOZSA-N
Molecular formula: C20H26Br2O2
Average molar mass: 458.2 g/mol
Monoisotopic mass: 456.02996

Overview

6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one is a 3-hydroxy steroid. It has a role as an androgen.

Names & identifiers

Preferred name: 6-(Dibromomethylene)testosterone
IUPAC: (8R,9S,10R,13S,14S,17S)-6-(dibromomethylidene)-17-hydroxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

Names & synonyms

6-(Dibromomethylene)testosterone05IEA0HI9JNSC-342565585-80-8Testosterone,6-(dibromomethylene)-UNII-05IEA0HI9JNSC 569406-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-oneAndrost-4-en-3-one, 6-(dibromomethylene)-17-hydroxy-, (17beta)-CHEBI:79854DTXSID10971252NSC34256

Show more names

Testosterone, 6-(dibromomethylene)-6-DIBROMOMETHYLENE-TESTOSTERONE(8R,9S,10R,13S,14S,17S)-6-(dibromomethylidene)-17-hydroxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one6-(Dibromomethylidene)-17-hydroxyandrost-4-en-3-oneQ271489916-(Dibromomethylidene)-17beta-hydroxyandrost-4-en-3-oneAndrost-4-en-3-one, 6-(dibromomethylene)-17.beta.-hydroxy-ANDROST-4-EN-3-ONE, 6-(DIBROMOMETHYLENE)-17-HYDROXY-, (17.BETA.)-

Database identifiers

CAS: 5585-80-8
PubChem CID: 234409
DTXSID: DTXSID10971252
ChEBI: CHEBI:79854
UNII: 05IEA0HI9J
Nikkaji: J2.794.011K

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 24
Formal charge: 0
Complexity: 648

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…