Dibenzoyl Thiamine

Suppliers

Names

[ CAS No. ]:
299-88-7

[ Name ]:
Dibenzoyl Thiamine

[Synonym ]:
O,S-Dibenzoyl-thiamin
Dibenzoylthiamine
Bentiaminum [INN-Latin]
O,S-Bis(benzoyl)thiamine disulfide
Bentiamine [INN]
Dibenzoylthiamin
Dibenzoyl ThiaMine
Bentiamina [INN-Spanish]
N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(4-benzoyloxy-2-benzoylsulfanyl-1-methyl-but-1-enyl)-formamide
O,S-Dibenzoylthiamine
Bentiamine

Chemical & Physical Properties

[ Density]:
1.291g/cm3

[ Boiling Point ]:
718.2ºC at 760mmHg

[ Melting Point ]:
173ºC

[ Molecular Formula ]:
C26H26N4O4S

[ Molecular Weight ]:
490.57400

[ Flash Point ]:
388.1ºC

[ Exact Mass ]:
490.16700

[ PSA ]:
140.78000

[ LogP ]:
5.59490

[ Vapour Pressure ]:
1.78E-20mmHg at 25°C

[ Index of Refraction ]:
1.639

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH6908500
CHEMICAL NAME :
Benzoic acid, thio-, S-ester with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydro xy- 2-mercapto-1-methyl-1-butenyl)formamide benzoate (ester)
CAS REGISTRY NUMBER :
299-88-7
LAST UPDATED :
199806
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C26-H26-N4-O4-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7480 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 62,123,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2120 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 62,123,1966

Safety Information

[ RTECS ]:
DH6908500

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiamine hydrochloride

DownStream

Related Compounds

  • Dibenzoyl thiamine hydrochloride
  • dibenzoyl 2-amino-6,7-dihydroxy-1,2,3,4-tetrahydronaphthalene
  • dibenzoyl selenide
  • Dibenzoyl-L-tartaric acid
  • Dibenzoyl pertetrasulfide
  • Dibenzoyl-(2-nitro-phenylthio)-methan
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 5-Pyrimidinamine, 4-propoxy-6-(3,4,5-trimethyl-1H-pyrazol-1-yl)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide