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Product Overview

Product Code

CAY-37274

CAS Number

84379-13-5

Product Format

Neat

Molecular Formula

C19 H20 Br N3 O3

Molecular Weight

418.2844

Product Categories

Cayman, Benzodiazepines Reference Materials

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Product Information

Analyte Data

Analyte Name

Bretazenil

CAS Number

84379-13-5

Molecular Formula

C19 H20 Br N3 O3

Molecular Weight

418.2844

Accurate Mass

417.0688

SMILES

CC(C)(C)OC(=O)c1ncn2c1[C@@H]3CCCN3C(=O)c4c(Br)cccc24

InChI

InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1

IUPAC

tert-butyl (7S)-14-bromo-12-oxo-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate

Product Data

Storage Temperature

-20°C

Shipping Temperature

-20°C

Country of Origin

UNITED STATES

Product Format

Neat

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Product Overview

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Bretazenil [A crystalline solid]

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