4-Chloroprogesterone
Basic information
- CAS
1164-81-4- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
MSWUPHPHYAFBLX-QCGOMIHKSA-N- Molecular formula
- C21H29ClO2
- Average molar mass
- 348.9 g/mol
- Monoisotopic mass
- 348.1856079
Overview
4-Chloroprogesterone is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 4-Chloroprogesterone
- IUPAC
- (8S,9S,10R,13S,14S,17S)-17-acetyl-4-chloro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 4-Chloropregn-4-ene-3,20-dione
- Molecular formula
- C21H29ClO2
- Molecular weight
- 0
Names & synonyms
4-Chloroprogesterone4-Chloropregn-4-ene-3,20-dione4-Chlor-progesteronePregn-4-ene-3,20-dione, 4-chloro-NSC 18308UNII-4YY5150V7DBRN 31057224YY5150V7DNSC-18308PROGESTERONE, 4-CHLORO-4-07-00-02399 (Beilstein Handbook Reference)4-CHLORO-PREGN-4-ENE-3,20-DIONE
Show more names
RefChem:986151164-81-44-Chlor-Progesteron(8S,9S,10R,13S,14S,17S)-17-acetyl-4-chloro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-onePregn-4-ene-3, 4-chloro-CHEBI:34400DTXSID201306396NSC18308
Database identifiers
- CAS
1164-81-4- PubChem CID
- 101995
- DTXSID
DTXSID201306396- ChEBI
CHEBI:34400- UNII
- 4YY5150V7D
- Nikkaji
- J67.039A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 636
Physicochemical properties
- FDA UNII
- 4 YY5150V7D · 4YY5150V7D
Chemistry & industry
Additional notes
DefinitionChEBI: 4-Chloroprogesterone is a corticosteroid hormone.
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Compound notes
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