AC1Q5QXA
(3R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-3-carboxylic acid
Also Known As: KST-1A5003|(3r,11bs)-9-methoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinoline-3-carboxylic acid|J2.794.498A|(3R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-3-carboxylic acid|(3R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quino|cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid|cis-3-Carboxy-1,3,4,6,7,11b-hexahydro-9-methoxy-2H-benzo[a]chinolizin|(3R,11bS)-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid|(3R,11BS)-9-METHOXY-1H,2H,3H,4H,6H,7H,11BH-PYRIDO[2,1-A]ISOQUINOLINE-3-CARBOXYLIC ACID
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.1365 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.1365 |
| Monoisotopic Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 485-65-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)[C@@H]3CC[C@H](CN3CC2)C(=O)O |
| InChIKey | CMZIZIPSUFOSEU-RISCZKNCSA-N |
Product Overview
AC1Q5QXA (CAS 485-65-4), with molecular formula C15H19NO3 and molecular weight 261.1365 g/mol. IUPAC: (3R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-3-carboxylic acid.