Basic information
- CAS
68442-57-9- Standard SMILES
C=O.CC(=O)c1ccccc1.CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CN)CCC[C@]21C.N#C[S-].O=S(=O)(O)O.[NH4+]- InChIKey
BEBIKGBSRJIUNY-WDSWIRCPSA-N- Molecular formula
- C30H47N3O6S2
- Average molar mass
- 609.8 g/mol
- Monoisotopic mass
- 609.29062857
Names & identifiers
- Preferred name
- azanium;[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;formaldehyde;1-phenylethanone;sulfuric acid;thiocyanate
- IUPAC
- azanium;[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;formaldehyde;1-phenylethanone;sulfuric acid;thiocyanate
Database identifiers
- CAS
68442-57-9- PubChem CID
- 172124
Properties
Computed structural properties
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…