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490-82-4

490-82-4 structure

490-82-4 structure

Name: Oxo Thiamine
Chemical Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CAS Number: 490-82-4
Molecular Formula: C₁₂H₁₆N₄O₂S
Molecular Weight: 280.34600
Create Date: 2018-12-10 19:17:06
Modify Date: 2026-07-01 06:49:11

Name	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
Synonyms	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-2(3H)-one Vitamin B1 Impurity 4 Oxo ThiaMine Conuclase tetrahydrate impurity 4 3-[(4-Amino-2-Methyl-5-pyriMidinyl)Methyl]-5-(2-hydroxyethyl)-4-Methyl-2(3H)-thiazolone EINECS 207-719-0 Thiamine HCl Impurity D Thiamine thiazolone Thiamine Hydrochloride Impurity D 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2(3H)-one (oxothiamine) 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-2(3H)-one 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-(3H)-thiazolone 2(3h)-thiazolone,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl 3-((4-amino-2-methylpyrimidin-5-yl)methyl) Thiamine Nitrate Impurity D 3-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-aethyl)-4-methyl-3H-thiazol-2-on (3H)-Thiazolone,3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl thiamine thiazolone 2(3H)-Thiazolone, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl Thiamine Impurity D(Oxo Thiamine) Thiamine Impurity D 3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazol-2-one thiamine thiazolin-2-one 3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-thiazol-2-one Tiamintiazolone [Italian] Thiaminthiazolone Thiamine Impurity 4（Thiamine Impurity D）

Density	1.378g/cm3
Boiling Point	507ºC at 760mmHg
Molecular Formula	C₁₂H₁₆N₄O₂S
Molecular Weight	280.34600
Flash Point	260.4ºC
Exact Mass	280.09900
PSA	122.27000
LogP	1.06310
Vapour Pressure	4.23E-11mmHg at 25°C
Index of Refraction	1.662
Storage condition	2-8°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XJ7054240

CHEMICAL NAME :: (3H)-Thiazolone, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydro xyethyl)-4-methyl-

CAS REGISTRY NUMBER :: 490-82-4

BEILSTEIN REFERENCE NO. :: 0310984

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C12-H16-N4-O2-S

MOLECULAR WEIGHT :: 280.38

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 530 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :: FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 23,69,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 730 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :: FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 23,69,1968

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 23,69,1968

Precursor 8
100502-51-0 67-16-3 1062-44-8 67-03-8
22580-38-7 299-35-4 95-02-3 13045-13-1
DownStream 0

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