Basic information
- CAS
55081-70-4- Standard SMILES
CN(C)NC(=O)O[C@H]1CCC2C3CCc4cc(O)ccc4C3CCC21C- InChIKey
FMHVCEVHTFFJDV-TWJKGYNYSA-N- Molecular formula
- C21H30N2O3
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.22564282
Names & identifiers
- Preferred name
- Sts 456
- IUPAC
- [(17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] N-(dimethylamino)carbamate
- English name
- STS 456
- Molecular formula
- C21H30N2O3
- Molecular weight
- 358.47
Names & synonyms
Sts 456RefChem:93231055081-70-4BRN 2306067STS-456[(17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] N-(dimethylamino)carbamate17-beta-(N',N'-Dimethylhydrazino-carbonyloxy)-estra-1,3,5(10)-trien-3-olDTXSID5097044117-(N,N,-dimethylhydrazinocarbonyloxy)estra-1,3,5(10)-trien-3-olEstra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-(2,2-dimethylhydrazinecarboxylate)17-(N,N'-dimethylhydrazinocarbonyloxy)estra-1,3,5(10)-trien-3-ol3-Hydroxyestra-1(10),2,4-trien-17-yl hydrogen dimethylcarbonohydrazonate
Show more names
Estra-1,3,5(10)-triene-3,17β-diol 17-(2,2-dimethylhydrazine-1-carboxylate)Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(2,2-dimethylhydrazinecarboxylate) (9CI)
3-Hydroxyestra-1(10),2,4-trien-17alpha-yl hydrogen dimethylcarbonohydrazonate
Database identifiers
- CAS
55081-70-4- PubChem CID
- 41319
- DTXSID
DTXSID50970441
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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