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532-43-4

Basic Information
CAS No.: 532-43-4
Name: Thiamine nitrate
Article Data: 6
Molecular Structure:
Molecular Structure of 532-43-4 (Thiamine nitrate)
Formula: C12H17N5O4S
Molecular Weight: 327.364
Synonyms: Thiaminenitrate (6CI);Thiamine nitrate (salt) (7CI,8CI);Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-,nitrate (salt) (9CI);3-(4-Amino-2-methylpyrimidyl-5-methyl)-4-methyl-5,b-hydroxyethylthiazolium nitrate;Aneurine mononitrate;Aneurine-nitrate;Betabion mononitrate;Vitamin B1mononitrate;Vitamin B1 nitrate;Vitamin B1 mononitrate;Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-,nitrate (1:1);Thiamine mononitrate;
EINECS: 208-537-4
Melting Point: 196-200 °C
Appearance: white crystal powder
Safety: 22-24/25
PSA: 173.03000
LogP: 1.47300
Synthetic route

thiamine sulfate

532-43-4

vitamin B1 mononitrate

Conditions
ConditionsYield
With ammonium hydroxide; nitric acid at 10℃; for 3.5h; pH=7 - 8; Temperature; pH-value;94.56%
299-35-4

3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazole-2-thione

532-43-4

vitamin B1 mononitrate

Conditions
ConditionsYield
With dihydrogen peroxide; nitric acid
67-03-8

Thiamine hydrochloride

532-43-4

vitamin B1 mononitrate

Conditions
ConditionsYield
With sodium hydroxide; silver nitrate In water
70-16-6

Aneurin

532-43-4

vitamin B1 mononitrate

Conditions
ConditionsYield
With dihydrogen peroxide; nitric acid In water at 20℃; pH=3.5;
2380-61-2

thiamine sulfate

532-43-4

vitamin B1 mononitrate

Conditions
ConditionsYield
With ammonium nitrate; ammonium hydroxide for 0.25h; pH=7.3; Reagent/catalyst; pH-value;47.92 g
532-43-4

vitamin B1 mononitrate

65-46-3

CYTIDINE

2-methyl-8-ribosylcytosichrome

Conditions
ConditionsYield
In methanol for 3h; Heating;40%
532-43-4

vitamin B1 mononitrate

<5,12,19,26,33,40-hexaamino-3,10,17,24,31,38-hexamethyl<1.6>(1,5)pyrimidiniophane> hexanitrate

Conditions
ConditionsYield
In methanol for 2h; Heating;34%
In methanol for 2h; Heating;
75-44-5

phosgene

532-43-4

vitamin B1 mononitrate

96793-20-3

3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-chlorocarbonyloxy-ethyl)-4-methyl-thiazolium; chloride

Conditions
ConditionsYield
In acetic acid at -10℃;
532-43-4

vitamin B1 mononitrate

74-88-4

methyl iodide

N1'-methylthiaminium diiodide

Conditions
ConditionsYield
In methanol
Raw Materials
67-03-8
299-35-4
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    Product Name: Thiamine nitrate CAS: 532-43-4 MF: C12H17N5O4S MW: 327.36 EINECS: 208-537-4 Mol File: 532-43-4.mol Thiamine nitrate Structure Thiamine nitrate Chemical Properties Melting point 374-392 °C storage temp. 2-

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Chemistry

Molecular Structure of Thiamine mononitrate (CAS NO.532-43-4):

Molecular Formula: C12H17N5O4S
Molecular Weight: 327.3595
IUPAC Name: 2-[3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol nitrate 
EINECS: 208-537-4
Classification Code: Vitamin [enzyme co-factor]
Melting point: 196-200 °C
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 5 
Product Categories: Biochemistry; Vitamins; Vitamins and derivatives 
Stability: Stable. Incompatible with strong oxidizing agents.

Uses

  Thiamine mononitrate (CAS NO.532-43-4) is applicable to vitamin B1 deficiency, maintain normal metabolism and nerve conduction function. It is also used in adjuvant therapy for indigestion, neuropathy, etc.

Toxicity Data With Reference

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) 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.
mouse LD50 intravenous 84mg/kg (84mg/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.
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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous and intraperitoneal routes. A powerful oxidizer. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Safety Statements of Thiamine mononitrate (CAS NO.532-43-4): 22-24/25
S22: Do not breathe dust. 
S24/25: Avoid contact with skin and eyes.

Specification

 Synonyms of Thiamine mononitrate (CAS NO.532-43-4) are Stuartinic ; 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 ; Thiamine nitrate ; Thiamine nitrate (salt) ; Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, nitrate (salt) ; Vitamin B(sub 1) nitrate ; Vitamin B1 mononitrate ; Vitamin B1 nitrate ; Thiamine nitrate (salt) (8CI) ; Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, nitrate (1:1) .