Analyte Name

(2S-trans)-Diltiazem Hydrochloride

CAS Number

103532-26-9

Molecular Formula

C22H27ClN2O4S

Molecular Weight

450.98

Accurate Mass

450.14

SMILES

O=C(N(CCN(C)C)C(C=CC=C1)=C1S2)[C@@H](OC(C)=O)[C@@H2]2C3=CC=C(OC)C=C3.Cl

InChI

InChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1

IUPAC

(2S,3R)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate hydrochloride

Alternate CAS Number

Free Base: 111188-70-6

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat