Basic information
- CAS
173934-91-3- Standard SMILES
CCCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21.Cl- InChIKey
NQQIUPCHXZFDIL-CQZNTPMBSA-N- Molecular formula
- C18H22ClNO2S
- Average molar mass
- 351.9 g/mol
- Monoisotopic mass
- 351.1059778
Names & identifiers
- Preferred name
- A-86929 hydrochloride
- IUPAC
- (1S,10R)-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol;hydrochloride
Names & synonyms
A-86929 hydrochlorideHSCUDB295J9,10-DIHYDROXY-2-PROPYL-4,5,5A,6,7,11B-HEXAHYDRO-3-THIA-5-AZACYCLOPENT-1-ENA(C)PHENANTHRENE HYDROCHLORIDE, TRANS, L-RefChem:199304CHEMBL2261344DTXSID50938440(5aR,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydrobenzo[f]thieno[2,3-c]quinoline-9,10-diol--hydrogen chloride (1/1)
Database identifiers
- CAS
173934-91-3- PubChem CID
- 9841397
- DTXSID
DTXSID50938440- ChEMBL
CHEMBL2261344- UNII
- HSCUDB295J
Properties
Computed structural properties
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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