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