Octotiamine

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Names

[ CAS No. ]:
137-86-0

[ Name ]:
Octotiamine

[Synonym ]:
Neuvitan
octotiamine
Gerstop
Gerostop

Chemical & Physical Properties

[ Density]:
1.268g/cm3

[ Boiling Point ]:
722ºC at 760mmHg

[ Molecular Formula ]:
C23H36N4O5S3

[ Molecular Weight ]:
544.75100

[ Flash Point ]:
390.5ºC

[ Exact Mass ]:
544.18500

[ PSA ]:
211.61000

[ LogP ]:
5.30980

[ Vapour Pressure ]:
7.03E-22mmHg at 25°C

[ Index of Refraction ]:
1.595

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RH0353000
CHEMICAL NAME :
Octanoic acid, 6-(acetylthio)-8-((2-(((4-amino-2-methyl-5-pyrimidiny l)methyl)formylamino) -1- (2-hydroxyethyl)-1-propenyl)dithio)-, methyl ester
CAS REGISTRY NUMBER :
137-86-0
BEILSTEIN REFERENCE NO. :
0772547
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C23-H36-N4-O5-S3
MOLECULAR WEIGHT :
544.81
WISWESSER LINE NOTATION :
T6N CNJ B1 DZ E1NVHY1&UY2QSS2YSV1&4VO1

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 :
2590 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,159,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
522 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,159,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1410 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,159,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
399 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,159,1982

Related Compounds

  • N-(1H-Benzimidazol-2-ylmethyl)-2-[(phenylmethyl)thio]acetamide
  • N-(3-Butoxypropyl)-3-[(1-oxobutyl)amino]benzamide
  • 4-(2,6-Dichlorophenyl)pyrrolidin-3-amine
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-(2,6-dimethylphenoxy)acetate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 5-chloro-2-methoxybenzoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-(4-tert-butylphenoxy)acetate
  • 3-(4-chloro-3-nitrophenyl)-2-cyano-N-(1-phenylethyl)prop-2-enamide
  • 4-((3,5-Dicarboxyphenyl)carbamoyl)phthalic acid
  • 6-(2-Methylpropyl)-decahydropyrrolo[3,4-d]azepine
  • 1-Cyclobutyl-2-{octahydrocyclopenta[c]pyrrol-1-yl}ethan-1-one
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