Basic information
- CAS
5831-00-5- Standard SMILES
CCOC(=O)CNC(=O)NC1CCC2(C)C(CCC3C2CCC2(C)C(OC(C)=O)CCC32)C1- InChIKey
BNBSHKIBJKHKSR-UHFFFAOYSA-N- Molecular formula
- C26H42N2O5
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.30937244
Names & identifiers
- Preferred name
- ethyl 2-[(17-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)carbamoylamino]acetate
- IUPAC
- ethyl 2-[(17-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)carbamoylamino]acetate
Names & synonyms
5831-00-5NSC100059DTXSID40973845NSC-100059N-[17-(Acetyloxy)androstan-3-yl]-N'-(2-ethoxy-2-oxoethyl)carbamimidic acid
Database identifiers
- CAS
5831-00-5- PubChem CID
- 264752
- DTXSID
DTXSID40973845
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 772
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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