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Substance Name: Thiamine mononitrate [USP]
RN: 532-43-4
UNII: 8K0I04919X
InChIKey: UIERGBJEBXXIGO-UHFFFAOYSA-N

Classification Code

  • Vitamin (Enzyme Co-Factor)

Molecular Formulas

  • C12-H17-N4-O-S.N-O3
  • C12-H17-N5-O4-S

Molecular Weight

  • 327.363
 
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Names and Synonyms

Name of Substance

  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m-ethylthiazolium nitrate (salt)
  • Thiamine mononitrate [USP]
  • Thiamine nitrate
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m-ethyl-, nitrate (salt)

Synonyms

  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium nitrate
  • 3-(4-Amino-2-methylpyrimidyl-5-methyl)-4-methyl-5,beta-hydroxyethylthiazolium nitrate
  • Aneurine mononitrate
  • Aneurine nitrate
  • Betabion mononitrate
  • EINECS 208-537-4
  • Mononitrato de tiamina
  • Thiamine mononitrate
  • Thiamine nitrate
  • Thiamine nitrate (salt)
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, nitrate (salt)
  • UNII-8K0I04919X
  • Vitamin B(sub 1) nitrate
  • Vitamin B1 mononitrate
  • Vitamin B1 nitrate

Systematic Names

  • Thiamine nitrate
  • Thiamine nitrate (salt)
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, nitrate (1:1)
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, nitrate (salt)

Superlist Name

  • Thiamine mononitrate

Mixture Name

  • Stuartinic

Registry Numbers

CAS Registry Number

  • 532-43-4

FDA UNII

  • 8K0I04919X

Other Registry Numbers

  • 1210110-58-9
  • 92739-10-1

System Generated Number

  • 0000532434

Molecular Formulas

Molecular Formulas

  • C12-H17-N4-O-S.N-O3
  • C12-H17-N5-O4-S

Molecular Formula Fragments

  • C12-H17-N4-O-S
  • COMPONENT
  • N-O3

Structure Descriptors

InChI

InChI=1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1

InChIKey

UIERGBJEBXXIGO-UHFFFAOYSA-N

Smiles

Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[O-][N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 350mg/kg (350mg/kg)   Drugs in Japan Vol. 6, Pg. 449, 1982.
mouse LD oral > 5gm/kg (5000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 114, 1992.
mouse LD50 intraperitoneal 387mg/kg (387mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Proceedings of the Society for Experimental Biology and Medicine. Vol. 68, Pg. 153, 1948.
mouse LD50 intravenous 84mg/kg (84mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Proceedings of the Society for Experimental Biology and Medicine. Vol. 68, Pg. 153, 1948.
rabbit LD50 intravenous 113mg/kg (113mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Proceedings of the Society for Experimental Biology and Medicine. Vol. 68, Pg. 153, 1948.
rabbit LD50 intravenous 300mg/kg (300mg/kg)   Drugs in Japan Vol. 6, Pg. 449, 1982.