Bisbentiamine
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Product Overview
Product Code
TRC-B411138
CAS Number
Product Format
Neat
Molecular Formula
C38H42N8O6S2
Molecular Weight
770.92
Product Categories
TRC, Silver catalysts, Impurity Reference Materials , API Reference Standards & Research Materials
Purity
>95% (HPLC)
Documentation
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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)