Octotiamine

Modify Date: 2025-08-25 14:10:17

Octotiamine Structure
Octotiamine structure
Common Name Octotiamine
CAS Number 137-86-0 Molecular Weight 544.75100
Density 1.268g/cm3 Boiling Point 722ºC at 760mmHg
Molecular Formula C23H36N4O5S3 Melting Point N/A
MSDS N/A Flash Point 390.5ºC

 Use of Octotiamine


Octotiamine (TATD) is a vitamin B1 analogue, a component of vitamin complex. Octotiamine can be used for the research of vitamin B1 deficiency[1].

 Names

Name methyl 6-acetylsulfanyl-8-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]octanoate
Synonym More Synonyms

 Octotiamine Biological Activity

Description Octotiamine (TATD) is a vitamin B1 analogue, a component of vitamin complex. Octotiamine can be used for the research of vitamin B1 deficiency[1].
Related Catalog
References

[1]. Federico Luzi,et al. Rapid one-pot radiosynthesis of [carbonyl 11C]formamides from primary amines and [11C]CO2. EJNMMI Radiopharmacy and Chemistry volume 5, Article number: 20 (2020).

 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

 Synonyms

Neuvitan
octotiamine
Gerstop
Gerostop
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.