Analyte Name

Ibogaine Hydrochloride

CAS Number

5934-55-4

Molecular Formula

C20 H26 N2 O . Cl H

Molecular Weight

346.89

Accurate Mass

346.1812

SMILES

Cl.CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(CCc4c3[nH]c5ccc(OC)cc45)C2

InChI

InChI=1S/C20H26N2O.ClH/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19;/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3;1H/t12-,13+,17+,20+;/m1./s1

IUPAC

(2R,4S,4aS,12bR)-4-ethyl-2,5-methano-9-methoxy-2,3,4,4a,6,7,12,12b-octahydro-1H-indolo[3,2-d][1]benzazepine monohydrochloride

Alternate CAS Number

Free base: 83-74-9

Storage Temperature

+5°C

Shipping Temperature

Room Temperature

Country of Origin

GERMANY

Product Format

Neat

API Family

Ibogaine Hydrochloride