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Haloprogesterone

HCID 20056569
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Basic information

CAS
3538-57-6
Standard SMILES
CC(=O)[C@@]1(Br)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
GCCIFDUTISMRTG-SCUQKFFVSA-N
Molecular formula
C21H28BrFO2
Average molar mass
411.3 g/mol
Monoisotopic mass
410.12567

Overview

Haloprogesterone is a small molecule drug. The usage of the INN stem '-terone' in the name indicates that Haloprogesterone is a antiandrogen. Haloprogesterone has a monoisotopic molecular weight of 410.13 Da.

Names & identifiers

Preferred name
Haloprogesterone
IUPAC
(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
English name
Haloprogesterone
Molecular formula
C21H28BrFO2
Molecular weight
411.35

Names & synonyms

HALOPROGESTERONEHaloprogesterona3538-57-617-Bromo-6alpha-fluoropregn-4-ene-3,20-dione803BIX5JG5(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-oneHaloprogesteronumUNII-803BIX5JG5Haloprogesterone [USAN:INN]17-Brom-6alpha-fluor-4-pregnen-3,20-dionHaloprogesterone (USAN/INN)HALOPROGESTERONE [INN]
Show more names
Prohalone17α-Bromo-6α-fluoropregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 17-bromo-6-fluoro-, (6α)-
SCHEMBL139523HALOPROGESTERONE [USAN]CHEMBL2104328DTXSID10188868Pregn-4-ene-3,20-dione, 17-bromo-6-fluoro-, (6.alpha.)-17alpha-Bromo-6alpha-fluoroprogesteroneD0441417.ALPHA.-BROMO-6.ALPHA.-FLUOROPROGESTERONE

Database identifiers

CAS
3538-57-6

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
25
Formal charge
0
Complexity
673

Physicochemical properties

FDA UNII
803 BIX5JG5 · 803BIX5JG5

Chemistry & industry

Applications

UsesProgestin.

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
PubChem CID
20056569
DTXSID
DTXSID10188868
ChEMBL
CHEMBL2104328
UNII
803BIX5JG5
Nikkaji
J7.958H