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| CAS No.: | 532-43-4 |
|---|---|
| Name: | Thiamine nitrate |
| Molecular Structure: | |
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| 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 |
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- 532-43-4
vitamin B1 mononitrate
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With dihydrogen peroxide; nitric acid |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; silver nitrate In water |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; nitric acid In water at 20℃; pH=3.5; |
| Conditions | Yield |
|---|---|
| With ammonium nitrate; ammonium hydroxide for 0.25h; pH=7.3; Reagent/catalyst; pH-value; | 47.92 g |
| Conditions | Yield |
|---|---|
| In methanol for 3h; Heating; | 40% |
- 532-43-4
vitamin B1 mononitrate
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In acetic acid at -10℃; |
| Conditions | Yield |
|---|---|
| In methanol |
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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) .