Product Name

  • Name

    OCTOTIAMINE

  • EINECS
  • CAS No. 137-86-0
  • Density 1.268g/cm3
  • Solubility
  • Melting Point 106-109°
  • Formula C23H36 N4 O5 S3
  • Boiling Point 722°Cat760mmHg
  • Molecular Weight 544.761
  • Flash Point 390.5°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous route. Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx and NOx. See also ESTERS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 137-86-0 (OCTOTIAMINE)
  • Hazard Symbols
  • Synonyms Octanoic acid,6-(acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propenyl]dithio]-,methyl ester (9CI); Gerostop; Neuvitan; Octotiamine;S-(3-Acetylthio-7-carbomethoxyheptylthio)thiamine; TATD; Thiamine 8-(methyl6-acetyldihydrothioctate) disulfide;Thiamine(7-methoxycarbonyl-3-acetylthioheptyl) disulfide
  • PSA 211.61000
  • LogP 5.30980

Octotiamine Chemical Properties

IUPAC Name: Methyl-6-acetylsulfanyl-8-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-
formylamino]-5-hydroxypent-2-en-3-yl]disulfanyloctanoate
The MF of Octotiamine (CAS NO.137-86-0) is C23H36N4O5S3.

          
The MW of Octotiamine (CAS NO.137-86-0) is 544.75.
Synonyms of Octotiamine (CAS NO.137-86-0): 6-(Acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pirimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propenyl]dithio]octanoic acid methyl ester ; 8-((2-(N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamido)-1-(2-hydroxyethyl)propenyl)dithio)-6-mercaptooctanoic acid, methyl ester acetate
Index of Refraction: 1.595 
Density: 1.268 g/ml 
Flash Point: 390.5 °C 
Boiling Point: 722 °C

Octotiamine Toxicity Data With Reference

1.    

orl-mus LD50:2590 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),159.
2.    

ipr-mus LD50:522 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),159.
3.    

scu-mus LD50:1410 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),159.
4.    

ivn-mus LD50:399 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),159.

Octotiamine Safety Profile

Poison by intravenous route. Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx and NOx. See also ESTERS.

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