Compound Summary
Compound Information
vitamin B1
Compound Name: | vitamin B1 |
Compound CID: | 6042 |
Synonyms: | vitamin B1 59-43-8 Thiamine monochloride Thiamine chloride 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride More... |
Iupac Name: | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride |
InChI: | InChI=1S/C12H17N4OS.ClH/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);1H/q+1;/p-1 |
InChIKey: | MYVIATVLJGTBFV-UHFFFAOYSA-M |
Canonical Smiles: | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-] |
Isomeric Smiles: | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-] |
Molecular Weight: | 300.81 |
Molecular Formula: | C12H17ClN4OS |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
vitamin B1
Molecular Weight: | 300.81 |
Molecular Formula: | C12H17ClN4OS |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 19 |
Complexity: | 269 |
Synonyms
vitamin B1
| vitamin B1 | vitamin B1 |
|---|---|
vitamin B1 |
59-43-8 |
Thiamine monochloride |
Thiamine chloride |
3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride |
Aneurine |
Thiaminum |
Tiamina |
thiamine(1+) chloride |
Betabion |
UNII-X66NSO3N35 |
X66NSO3N35 |
CHEBI:33283 |
Bethiamin |
Oryzanin |
Oryzanine |
Vitaneurin |
Beivon |
Apatate drape |
Thiamine (Vit B1) |
3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium chloride |
Thiamine, chloride |
B-Amin |
3-(4-amino-2-methylpyrimidin-5-yl)methyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride |
Thiacoat |
Thiamine INN:BAN |
Thiaminum INN-Latin |
Tiamina INN-Spanish |
3-(4-amino-2-methyl-5-pyrimidinyl)methyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride |
Thiamine hydrochloride;3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2- hydroxyethyl)-4-methylthiazolium chloride;3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride |
NSC36226 |
CCRIS 5823 |
HSDB 220 |
EINECS 200-425-3 |
Oryzenin |
Thiamine (INN) |
2-{3-(4-amino-2-methylpyrimidin-5-yl)methyl-4-methyl-1,3-thiazol-5-yl}ethan- 1-ol, chloride |
ThiaMine IMpurity C |
Vitamin B1 (TN) |
Vitamin B1 ,(S) |
C12H17ClN4OS |
3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydrox yethyl)-4-methylthiazolium chloride |
CHEMBL1588 |
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride |
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-chloride |
SCHEMBL10074 |
MLS001304099 |
Vitamin B1 Mononitrate, USP |
DTXSID2023648 |
HMS2233P06 |
HMS3372N17 |
HY-A0100 |
MFCD00044586 |
SBB058094 |
AKOS015960561 |
CS-7793 |
MCULE-8491410709 |
AC-11683 |
AS-15935 |
R436 |
SMR000718788 |
DB-017724 |
FT-0603249 |
ST51012286 |
D08580 |
A832318 |
W-105322 |
Q27115611 |
Thiazolium,3-(4-amino-2-methyl-5-pyrimidinyl)methyl-5-(2-hydroxyethyl)-4-methyl-chloride |
2-3-(4-amino-2-methyl-pyrimidin-5-yl)methyl-4-methyl-thiazol-3-ium-5-ylethanol chloride;Vitamin B1 |
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, chloride (1:1) |
Thiazolium, 3-(4-amino-2-methyl-5-pyrimidinyl)methyl-5-(2-hydroxyethyl)-4-methyl- chloride (1:1) |
Experimental Data
vitamin B1
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 50 | ppm | 16 | 16 | 0 | Unclear | 19837596 |
Experimental Data Visualization
vitamin B1
Statistics Data
vitamin B1
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
vitamin B1
