11beta-Hydroxy-12alpha-bromoprogesterone
Basic information
- CAS
1242-47-3- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)[C@H](Br)[C@]12C- InChIKey
BJZVIASULZGRCL-YRCLAMMRSA-N- Molecular formula
- C21H29BrO3
- Average molar mass
- 409.4 g/mol
- Monoisotopic mass
- 408.13001
Overview
12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 11beta-Hydroxy-12alpha-bromoprogesterone
- IUPAC
- (8S,9S,10R,11R,12R,13S,14S,17S)-17-acetyl-12-bromo-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
11beta-Hydroxy-12alpha-bromoprogesterone1242-47-37E8FHZ33OI12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dioneNSC-4541612-alpha-Bromo-11-beta-hydroxypregn-4-ene-3,20-dioneUNII-7E8FHZ33OINSC 45416BRN 3165270CHEBI:34152DTXSID10154240Pregn-4-ene-3,20-dione, 12-alpha-bromo-11-beta-hydroxy-
Show more names
Pregn-4-ene-3,20-dione, 12.alpha.-bromo-11.beta.-hydroxy-NSC45416Pregn-4-ene-3,20-dione, 12-bromo-11-hydroxy-, (11.beta.,12.alpha.)-(8S,9S,10R,11R,12R,13S,14S,17S)-17-acetyl-12-bromo-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one11.BETA.-HYDROXY-12.ALPHA.-BROMOPROGESTERONEPregn-4-ene-3, 12.alpha.-bromo-11.beta.-hydroxy-Q27115850Pregn-4-ene-3,20-dione, 12alpha-bromo-11beta-hydroxy-
Database identifiers
- CAS
1242-47-3- PubChem CID
- 239806
- DTXSID
DTXSID10154240- ChEBI
CHEBI:34152- UNII
- 7E8FHZ33OI
- Nikkaji
- J67.038C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 656
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Compound notes
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