Description
IUPAC Name: methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate;sulfuric acid
InChI: InChI=1S/C21H24N2O2.H2O4S/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18;1-5(2,3)4/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3;(H2,1,2,3,4)/t13-,19+,21-;/m0./s1
InChIKey: ULBHCCBAHJWZET-GYMDHWDQSA-N
Canonical SMILES: CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.OS(=O)(=O)O
Isomeric SMILES: CCC1=C[C@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.OS(=O)(=O)O
Synonyms: Catharanthine sulfate; 70674-90-7; Catharanthine (Sulfate); Catharanthine xSulfate; CATHARANTHINE; SULFURIC ACID; methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate;sulfuric acid; (+)-3,4-Didehydrocoronaridine (Sulfate); CHEMBL2435219; …
Botanical Source: Catharanthus roseus (L.)G. Don