Basic information
- CAS
54025-36-4- Standard SMILES
CC12CCC3C4CCC(=O)C=C4CCC3C1CC[C@@H]2OC(=O)N(CCCl)N=O- InChIKey
KTQUNVRSLAGBSY-WLGSGIEKSA-N- Molecular formula
- C21H29ClN2O4
- Average molar mass
- 408.9 g/mol
- Monoisotopic mass
- 408.1815851
Overview
RN given refers to (17beta)-isomer; structure
Names & identifiers
- Preferred name
- 19-Nortestosterone nitrosocarbamate
- IUPAC
- [(17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate
Names & synonyms
19-Nortestosterone nitrosocarbamate54025-36-4DTXSID20968855RefChem:79539DTXCID301527254LEO 1727LS-1727NSC 269719LS 172719-Nortestosterone-17/N-(2-chloroethyl)-N-nitrosocarbamate(17-beta)-17-((((2-Chloroethyl)nitrosoamino)carbonyl)oxy)estr-4-en-3-one[(17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate
Show more names
ESTR-4-EN-3-ONE, 17-((((2-CHLOROETHYL)NITROSOAMINO)CARBONYL)OXY)-, (17-beta)-3-Oxoestr-4-en-17beta-yl (2-chloroethyl)(nitroso)carbamate
Database identifiers
- CAS
54025-36-4- PubChem CID
- 40974
- DTXSID
DTXSID20968855
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 696
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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