Analyte Name

(+/-)-Butaclamol Hydrochloride

CAS Number

36504-94-6

Molecular Formula

C25 H31 N O . Cl H

Molecular Weight

397.981

Accurate Mass

397.217

SMILES

Cl.CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc5cccc([C@H]2C1)c35

InChI

InChI=1S/C25H31NO.ClH/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25;/h4-10,21-22,27H,11-16H2,1-3H3;1H/t21-,22-,25-;/m1./s1

IUPAC

(1R,6R,8R)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol;hydrochloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat