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Substance Name: Thiamine hydrochloride [USP:JAN]
RN: 67-03-8
UNII: M572600E5P
InChIKey: DPJRMOMPQZCRJU-UHFFFAOYSA-M

Notes

  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2- hydroxyethyl)-4-methylthiazolium chloride.
  • An important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and PELLAGRA. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake.

Molecular Formulas

  • C12-H17-N4-O-S.Cl-H.Cl
  • C12-H17-N4-O-S.Cl.Cl-H

Molecular Weight

  • 337.2732
 

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Vitamin (Enzyme Co-Factor)

Names and Synonyms

Name of Substance

  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m- ethylthiazolium chloride, monohydrochloride
  • Thiamine hydrochloride
  • Thiamine hydrochloride [USP:JAN]
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m- ethyl, chloride, monohydrochloride

Synonyms

  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium chloride monohydrochloride
  • AI3-18993
  • Aneurine hydrochloride
  • Apate drops
  • Beatine
  • Bedome
  • Begiolan
  • Benerva
  • Bequin
  • Berin
  • Betabion
  • Betabion hydrochloride
  • Betalin S
  • Betaxin
  • Bethiazine
  • Beuion
  • Bevitex
  • Bevitine
  • Bewon
  • Biamine
  • Bithiamin
  • Biuno
  • Bivatin
  • Bivita
  • CCRIS 1906
  • Clotiamina
  • EINECS 200-641-8
  • Eskapen
  • Eskaphen
  • FEMA No. 3322
  • Hybee
  • Lixa-beta
  • Metabolin
  • NSC 36226
  • Slowten
  • THD
  • Thiadoxine
  • Thiamin chloride
  • Thiamin dichloride
  • Thiamin hydrochloride
  • Thiaminal
  • Thiamine chloride hydrochloride
  • Thiamine dichloride
  • Thiamine HCl
  • Thiamine hydrochloride
  • Thiamine monohydrochloride
  • Thiaminium chloride
  • Thiaminium chloride hydrochloride
  • Thiaminum hydrochloricum
  • Thiamol
  • Thiavit
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride, monohydrochloride
  • Tiamidon
  • Tiaminal
  • Trophite
  • UNII-M572600E5P
  • USAF CB-20
  • Vetalin S
  • Vinothiam
  • Vitamin B hydrochloride
  • Vitamin b(sub 1) hydrochloride
  • Vitamin B1 hydrochloride
  • Vitamin B1 hydrochloride (VAN)
  • Vitaneuron

Systematic Names

  • Thiamine hydrochloride
  • Thiamine, chloride, hydrochloride
  • Thiamine, monohydrochloride (8CI)
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride (1:1), hydrochloride (1:1)
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride, monohydrochloride

Superlist Names

  • Chloride-hydrochloride salt of thiamine
  • Thiamin hydrochloride
  • Thiamine hydrochloride

Mixture Names

  • Troph-iron
  • Trophite
  • Trophite + iron

Registry Numbers

CAS Registry Number

  • 67-03-8

FDA UNII

  • M572600E5P

Other Registry Numbers

  • 108631-50-1
  • 63-66-1
  • 70732-86-4

System Generated Number

  • 0000067038

Molecular Formulas

Molecular Formulas

  • C12-H17-N4-O-S.Cl-H.Cl
  • C12-H17-N4-O-S.Cl.Cl-H

Molecular Formula Fragments

  • C12-H17-N4-O-S
  • Cl
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1

InChIKey

DPJRMOMPQZCRJU-UHFFFAOYSA-M

Smiles

Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO.Cl.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 75mg/kg (75mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 6, Pg. 623, 1956.
frog LD50 subcutaneous 2600mg/kg (2600mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 1, 1959.
guinea pig LD50 intravenous 140mg/kg (140mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 6, Pg. 623, 1956.
guinea pig LD50 subcutaneous 872mg/kg (872mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 6, Pg. 623, 1956.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 74mg/kg (74mg/kg)   Farmaco, Edizione Pratica. Vol. 24, Pg. 712, 1969.
mouse LD50 oral 8224mg/kg (8224mg/kg)   Internationale Zeitschrift fuer Vitaminforschung. International Review of Vitamin Research. Vol. 37, Pg. 82, 1967.
mouse LD50 subcutaneous 266mg/kg (266mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967.
pigeon LD50 intravenous 180mg/kg (180mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 6, Pg. 623, 1956.
rabbit LD50 intravenous 117mg/kg (117mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Proceedings of the Society for Experimental Biology and Medicine. Vol. 68, Pg. 153, 1948.
rat LD50 intraperitoneal 481mg/kg (481mg/kg)   Farmaco, Edizione Pratica. Vol. 24, Pg. 712, 1969.
rat LD50 intravenous 118mg/kg (118mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 236, Pg. 149, 1959.
rat LD50 oral 3710mg/kg (3710mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Agents and Actions, A Swiss Journal of Pharmacology. Vol. 4, Pg. 125, 1974.
rat LD50 subcutaneous 560mg/kg (560mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 6, Pg. 623, 1956.
women LDLo intramuscular 5mg/kg (5mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

BEHAVIORAL: COMA
American Journal of Emergency Medicine. Vol. 13, Pg. 371, 1995.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 248 dec deg C   EXP
log P (octanol-water) -3.930 (none)   EST
Atmospheric OH Rate Constant 1.98E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.