Products 5786-96-9

CAS 5786-96-9 appears in our catalog under these names: Brucine Hydrochloride Monohydrate, Brucine Hydrochloride Monohydrate, >98.0%(T). Offered by: Biosynth, TCI. Available pack sizes: 25g, 10g, 5g, 50g.

Structural formula: {0} (CAS {1})

(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;hydrochloride (CAS 5786-96-9) is a chemical compound with the molecular formula C23H27ClN2O4 and a molecular weight of 430.9 g/mol. IUPAC name: (4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;hydrochloride. InChIKey: LOAGDNZFQUISCJ-SUJBTXFYSA-N.

Identity
Molecular formulaC23H27ClN2O4
Molecular weight430.9 g/mol
IUPAC name(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;hydrochloride
InChIKeyLOAGDNZFQUISCJ-SUJBTXFYSA-N
SMILESCOC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.Cl

Computed by PubChem (NCBI)