Oxo Thiamine

Modify Date: 2025-08-24 06:17:37

Oxo Thiamine structure	Common Name	Oxo Thiamine
	CAS Number	490-82-4	Molecular Weight	280.34600
	Density	1.378g/cm3	Boiling Point	507ºC at 760mmHg
	Molecular Formula	C₁₂H₁₆N₄O₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	260.4ºC

Name	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
Synonym	More Synonyms

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
InChIKey	VXCONGLPCAPYEU-UHFFFAOYSA-N
SMILES	Cc1ncc(Cn2c(C)c(CCO)sc2=O)c(N)n1
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
CAS#:100502-51-0 thiamine disulfide CAS#:67-16-3 Thiamine Disulf... CAS#:1062-44-8 [3-(4-amino-2-m... CAS#:67-03-8 Thiamine hydroc...
CAS#:22580-38-7 3-(4-amino-2-me... CAS#:299-35-4 Thiothiamine CAS#:95-02-3 4-AMINO-5-AMINO... CAS#:13045-13-1 3-chloro-5-hydr...
DownStream 0

Name: Inhibition of apo-transketolase
Source: ChEMBL
Target: Transketolase
External Id: CHEMBL947911

Name: Inhibition of transketolase in human HCT116 cells
Source: ChEMBL
Target: Transketolase
External Id: CHEMBL947912

Name: Ratio of kcat to Km for thiamine pyrophospholipase
Source: ChEMBL
Target: Thiamin pyrophosphokinase 1
External Id: CHEMBL947913

Total 3, Current Page 1 of 1

Thiamine thiazolone

3-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-aethyl)-4-methyl-3H-thiazol-2-on

2(3h)-thiazolone,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl

3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazol-2-one

3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-(3H)-thiazolone

thiamine thiazolin-2-one

Thiaminthiazolone

Oxo Thiamine

Tiamintiazolone [Italian]

EINECS 207-719-0

(3H)-Thiazolone,3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Oxo Thiamine
Price: Check
Purity: 97.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

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Oxo Thiamine

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Precursor & DownStream

Oxo ThiamineBioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.