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Product Overview

Product Code

TRC-D456100

CAS Number

101469-35-6

Product Format

Neat

Molecular Formula

C29 H36 N2 O5 S

Molecular Weight

524.672

API Family

Biotin

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Diethyl 4-[(3aS,4S,6aR)-1,3-Dibenzyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]butane-1,1-dicarboxylate

CAS Number

101469-35-6

Molecular Formula

C29 H36 N2 O5 S

Molecular Weight

524.672

Accurate Mass

524.234

SMILES

CCOC(=O)C(CCC[C@@H]1SC[C@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4)C(=O)OCC

InChI

InChI=1S/C29H36N2O5S/c1-3-35-27(32)23(28(33)36-4-2)16-11-17-25-26-24(20-37-25)30(18-21-12-7-5-8-13-21)29(34)31(26)19-22-14-9-6-10-15-22/h5-10,12-15,23-26H,3-4,11,16-20H2,1-2H3/t24-,25-,26-/m0/s1

IUPAC

diethyl 2-[3-[(3aS,4S,6aR)-1,3-dibenzyl-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]propyl]propanedioate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Biotin

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Product Overview

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Chemical Data

Product Data

Product citations

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1,3-Diethyl ester 2-[3-[(3aS,4S,6aR)-hexahydro-2-oxo-1,3-bis(phenylmethyl)-1H-thieno[3,4-d]imidazol-4-yl]propyl] Propanedioic acid

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