Basic information
- CAS
3473-53-8- Standard SMILES
CC12CCC3C(CC=C4CC(SC(=N)N)CCC43C)C1CCC2=O.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
LHTHPFBTRJBMIE-UHFFFAOYSA-N- Molecular formula
- C27H38N2O4S2
- Average molar mass
- 518.7 g/mol
- Monoisotopic mass
- 518.22730004
Names & identifiers
- Preferred name
- (10,13-Dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) carbamimidothioate;4-methylbenzenesulfonic acid
- IUPAC
- (10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) carbamimidothioate;4-methylbenzenesulfonic acid
Names & synonyms
3473-53-8NSC41339DTXSID00956215NSC-41339NSC123478NSC-1234784-Methylbenzene-1-sulfonic acid--17-oxoandrost-5-en-3-yl carbamimidothioate (1/1)
Database identifiers
- CAS
3473-53-8- PubChem CID
- 237642
- DTXSID
DTXSID00956215
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 821
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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