2-[3-(Acetyloxy)pregn-5-en-20-ylidene]hydrazine-1-carboximidic acid
Basic information
- CAS
6192-83-2- Standard SMILES
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)=NNC(N)=O)CCC32)C1- InChIKey
GFJOPLHDGOHLPB-UHFFFAOYSA-N- Molecular formula
- C24H37N3O3
- Average molar mass
- 415.6 g/mol
- Monoisotopic mass
- 415.28349205
Names & identifiers
- Preferred name
- 2-[3-(Acetyloxy)pregn-5-en-20-ylidene]hydrazine-1-carboximidic acid
- IUPAC
- [17-[N-(carbamoylamino)-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
6192-83-2DTXSID209774672-[3-(Acetyloxy)pregn-5-en-20-ylidene]hydrazine-1-carboximidic acid
Database identifiers
- CAS
6192-83-2- PubChem CID
- 276607
- DTXSID
DTXSID20977467
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 791
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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