ICI 118551 Hydrochloride

Analyte Name

ICI 118551 Hydrochloride

CAS Number

72795-01-8

Molecular Formula

C17 H27 N O2 . Cl H

Molecular Weight

313.86

Accurate Mass

313.1809

SMILES

Cl.CC(C)N[C@H](C)[C@H](O)COc1ccc(C)c2CCCc12

InChI

InChI=1S/C17H27NO2.ClH/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17;/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3;1H/t13-,16-;/m1./s1

IUPAC

(2S,3R)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol;hydrochloride

Alternate CAS Number

Free base: 72795-26-7

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat