Structure
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Relationships |
Total Number of functionally related protein(s) :
1
Total Number of Articles : 1
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PubChem |
3036235
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Molecular Formula |
C26H26N4O4S |
SMILES |
CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCOC(=O)C2=CC=CC=C2)\SC(=O)C3=CC=CC=C3)/C |
InChI |
InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/b23-18- |
synonyms |
- Bentiamine
- Dibenzoyl thiamine
- Dibenzoylthiamine
- 299-88-7
- Bentiamine [INN]
- O,S-Dibenzoylthiamine
- O,S-Bis(benzoyl)thiamine disulfide
- 4-(N-((4-Amino-2-methylpyrimidin-5-yl)methyl)formamido)-3-(benzoylthio)pent-3-en-1-yl benzoate
- 8PUY50JWLU
- Bentiamine (INN)
- N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide O,S-dibenzoate
- Bentiamina
- Bentiaminum
- Bentiaminum [INN-Latin]
- Bentiamina [INN-Spanish]
- Benzenecarbothioic acid, S-(2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-(2-(benzoyloxy)ethyl)-1-propenyl) ester
- Benzoic acid, thio-, S-ester with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide benzoate (ester)
- CCRIS 1339
- EINECS 206-084-7
- UNII-8PUY50JWLU
- Thiamine, O,S-dibenzoyl-,
- Bentiamin
- Bentiamine?
- Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propenyl] ester
- Benzoic acid, thio-, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide benzoate (ester)
- N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide O,S-dibenzoate
- O,S-Dibenzoyl thiamine
- Thiamine, O,S-dibenzoyl-
- BENTIAMINE [WHO-DD]
- MLS006011350
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Properties |
Property |
Value |
MW |
490.6 g/mol |
HBD |
1 |
HBA |
8 |
Rotatable Bond Count |
11 |
Exact Mass |
490.16747650 g/mol |
Monoisotopic Mass |
490.16747650 g/mol |
Heavy Atom Count |
35 |
Isotope Atom Count |
0 |
Atom Stereo Count |
0 |
Covalent Unit Count |
1 |
Complexity |
750 |
xlogp |
3.8 |
Topological Polar Surface Area |
141 |
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