[17-(2-Chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

HCID 4474064

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Basic information

Standard SMILES: CCC(=O)OC1(C(=O)CCl)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C
InChIKey: BDSYKGHYMJNPAB-UHFFFAOYSA-N
Molecular formula: C25H31ClF2O5
Average molar mass: 485 g/mol
Monoisotopic mass: 484.1828081

Overview

Halobetasol Propionate can cause developmental toxicity according to state or federal government labeling requirements.

Names & identifiers

Preferred name: [17-(2-Chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
IUPAC: [17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

Names & synonyms

C25H31ClF2O5DTXSID40860827HMS5082A12PCA27226s4089NCGC00389480-01[17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoateLS-15117DB-05497021-Chloro-6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate1a(2aChloroacetyl)a5,9badifluoroa10ahydroxya 2,9a,11aatrimethyla7aoxoa 1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aHa cyclopenta[a]phenanthrena1ayl propanoate

Database identifiers

PubChem CID: 4474064
DTXSID: DTXSID40860827

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 80.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 33
Formal charge: 0
Complexity: 964

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Compound notes

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