Diphenoxylate Hydrochloride (1.0mg/ml in Acetonitrile)

Analyte Name

Diphenoxylate hydrochloride

CAS Number

3810-80-8

Molecular Formula

C30 H32 N2 O2 . Cl H

Molecular Weight

489.05

Measured Value

1.0 mg/mL

Accurate Mass

488.2231

SMILES

Cl.CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4

InChI

InChI=1S/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H

IUPAC

ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydrochloride

Alternate CAS Number

Free base: 915-30-0

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile