Estrogens, conjugated; meprobamate
Basic information
- CAS
956596-16-0- Standard SMILES
CCCC(C)(COC(N)=O)COC(N)=O.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O.C[C@]12CC[C@H]3C(=CCc4cc(OS(=O)(=O)O)ccc43)[C@@H]1CCC2=O.C[C@]12CCc3c(ccc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CCC2=O- InChIKey
NMOBGFHEUQQCPQ-PCLQRYFVSA-N- Molecular formula
- C63H78N2O19S3
- Average molar mass
- 1,263.5 g/mol
- Monoisotopic mass
- 1,262.43609178
Overview
See also: Meprobamate (has component); Estrogens, Conjugated (has component).
Names & identifiers
- Preferred name
- Estrogens, conjugated; meprobamate
- IUPAC
- [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate;[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;[(13S,14S)-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Names & synonyms
Milprem-200Milprem-400PMB 200PMB 400RefChem:55149Estrogens, conjugated; meprobamateEstrogens, conjugated / meprobamate956596-16-0DTXSID20241918GLXC-21868Estrogens conjugated with meprobamate
Database identifiers
- CAS
956596-16-0- PubChem CID
- 71306403
- DTXSID
DTXSID20241918
Properties
Computed structural properties
- Topological polar surface area
- 372 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 14
- Heavy atoms
- 87
- Formal charge
- 0
- Complexity
- 2,140
Experimental & physicochemical properties
Human DrugsFDA approved drugs -> Active ingredient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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