| Formula |
C19H23N4O6PS |
| IUPAC Name |
s-[(z)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-phosphonooxyethyl)prop-1-enyl] benzenecarbothioate |
| Molecular Mass |
466.448 g·mol−1 |
| Heat of Formation |
-1173.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.71 ± 1.08 D |
| Volume |
519.13 Å 3 |
| Surface Area |
387.13 Å 2 |
| HOMO Energy |
-8.69 ± 0.55 eV |
| LUMO Energy |
-0.47 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 8088 c.b.
- benfotiamine [dcf:inn:jan]
- benphothiamine
- benzenecarbothioic acid s-[(z)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-1-(2-phosphonooxyethyl)prop-1-enyl] 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 dihydrogen phosphate (ester)
- benzoylthiamine monophosphate
- benzoylthiamine o-monophosphate
- berdi
- betivina
- biotamin
- bpbio1_000757
- btmp
- n-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide s-benzoate o-phosphate
- nitanevril
- s-[(z)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-phosphonooxyethyl)prop-1-enyl] benzenecarbothioate
- s-[(z)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-phosphonooxy-pent-2-en-3-yl] benzenecarbothioate
- s-[(z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate
- s-benzoylthiamine monophosphate
- s-benzoylthiamine o-monophosphate
- thiamine monophosphate benzoyl
- vitanevril
|
| CAS Number(s) |
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| InChIKey |
BTNNPSLJPBRMLZ-LGMDPLHJSA-N |
| QR Code |
Generate QR Code |
| Links |
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|
| DOI |
|
| Downloads |
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|
| Elements |
C
H
O
N
P
S
|
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