Product Code

TRC-Q694010

CAS Number

54821-44-2

Product Format

Neat

Molecular Formula

C20 H24 N2 O3

Molecular Weight

340.42

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Quinine-1 oxide

CAS Number

54821-44-2

Molecular Formula

C20 H24 N2 O3

Molecular Weight

340.42

Accurate Mass

340.1787

SMILES

COc1ccc2c(c1)c(cc[n+]2[O-])[C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C

InChI

InChI=1S/C20H24N2O3/c1-3-13-12-21-8-6-14(13)10-19(21)20(23)16-7-9-22(24)18-5-4-15(25-2)11-17(16)18/h3-5,7,9,11,13-14,19-20,23H,1,6,8,10,12H2,2H3/t13-,14-,19-,20+/m0/s1

IUPAC

(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1-oxidoquinolin-1-ium-4-yl)methanol

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Quinine 1’-Oxide

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