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Bisbentiamine

Bisbentiamine structure

CAS No:
2667-89-2
Formula:
C38H42N8O6S2
Chemical Name:
Bisbentiamine
Synonyms:
Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl]dithio]-4-(benzoyloxy)-1-methyl-1-buten-1-yl]-;Formamide,N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-,dibenzoate (ester);Formamide,N,N′-[dithiobis[2-[2-(benzoyloxy)ethyl]-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-;N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl]dithio]-4-(benzoyloxy)-1-methyl-1-buten-1-yl]formamide;Benzoylthiamine disulfide;O-Benzoylthiamine disulfide;BTDS;Bis(O-benzoylthiamine) disulfide;Bisbentiamine;Beprocin;Beston
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Bisbentiamine Basic Attributes

Molecular Weight：

770.92

Exact Mass：

770.92

EC Number：

220-206-6

DSSTox ID：

DTXSID7048586

Characteristics

PSA：

247.42000

XLogP3：

8.43760

Density：

1.38 g/cm³

Melting Point：

146.5 °C

Boiling Point：

987.4ºC at 760mmHg

Flash Point：

551ºC

Refractive Index：

1.654

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

bisbentiamine

Computed Properties

Molecular Weight:770.9
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:19
Exact Mass:770.26687344
Monoisotopic Mass:770.26687344
Topological Polar Surface Area:247
Heavy Atom Count:54
Complexity:1200
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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