Product Code

TRC-B411138

CAS Number

2667-89-2

Product Format

Neat

Molecular Formula

C38H42N8O6S2

Molecular Weight

770.92

Product Categories

TRC, Silver catalysts, Impurity Reference Materials , API Reference Standards & Research Materials

Product Type

Impurity, API

Purity

>95% (HPLC)

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Bisbentiamine

CAS Number

2667-89-2

Molecular Formula

C38H42N8O6S2

Molecular Weight

770.92

Accurate Mass

770.2669

SMILES

C\C(=C(\CCOC(=O)c1ccccc1)/SS\C(=C(/C)\N(Cc2cnc(C)nc2N)C=O)\CCOC(=O)c3ccccc3)\N(Cc4cnc(C)nc4N)C=O

InChI

InChI=1S/C38H42N8O6S2/c1-25(45(23-47)21-31-19-41-27(3)43-35(31)39)33(15-17-51-37(49)29-11-7-5-8-12-29)53-54-34(16-18-52-38(50)30-13-9-6-10-14-30)26(2)46(24-48)22-32-20-42-28(4)44-36(32)40/h5-14,19-20,23-24H,15-18,21-22H2,1-4H3,(H2,39,41,43)(H2,40,42,44)/b33-25+,34-26+

IUPAC

[(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-benzoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] benzoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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Bisbentiamine

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