Product Code

TRC-KIT2785-1ML

CAS Number

109582-53-8

Product Format

Single Solution

Matrix

Acetonitrile

Molecular Formula

C17H22ClNO4

Molecular Weight

339.81

Product Categories

TRC, Impurity Reference Materials

Alternate CAS Number

Free compound: 518-97-8

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Allopseudococaine Hydrochloride

CAS Number

109582-53-8

Molecular Formula

C17H22ClNO4

Molecular Weight

339.81

Measured Value

1 mg/mL

Accurate Mass

339.1237

SMILES

O=C(C1=CC=CC=C1)O[C@H]2[C@@H](C(OC)=O)[C@H]3CC[C@@H](C2)N3C.Cl

InChI

InChI=1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14+,15-;/m0./s1

IUPAC

methyl (1R,2S,3R,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride

Alternate CAS Number

Free compound: 518-97-8

Product Data

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile

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Allopseudococaine Hydrochloride (1 mg/ml in Acetonitrile)

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