Basic information
- CAS
78467-68-2- Standard SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@H]1C(=O)COC(=O)OC(C1CCCCC1)C1CCCCC1- InChIKey
YHKWQBFYBUXNDL-MCCAODLFSA-N- Molecular formula
- C36H50Cl2O5
- Average molar mass
- 633.7 g/mol
- Monoisotopic mass
- 632.3035301
Overview
Locicortolone dicibate is a small molecule drug. Locicortolone dicibate has a monoisotopic molecular weight of 632.3 Da.
Names & identifiers
- Preferred name
- Locicortolone Dicibate
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9,11-dichloro-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dicyclohexylmethyl carbonate
Names & synonyms
Locicortolone dicibateLocicortoneLocicortolone dicibate [INN]dicibate de locicortolonedicibato de locicortolona78467-68-2G87210HO7AUNII-G87210HO7A9,11.BETA.-DICHLORO-21-HYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE DICYCLOHEXYLMETHYL CARBONATElocicortoloni dicibasRefChem:1539149,11beta-Dichloro-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione dicyclohexylmethyl carbonate
Show more names
[2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9,11-dichloro-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dicyclohexylmethyl carbonateorb1696402CHEMBL2106432SCHEMBL30217942Ru-24643AKOS040752645T32839Q27278917
Database identifiers
- CAS
78467-68-2- PubChem CID
- 3045377
- ChEMBL
CHEMBL2106432- UNII
- G87210HO7A
- Nikkaji
- J22.792G
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…