CAS 53808-87-0|Tetroxoprim

Introduction：Basic information about CAS 53808-87-0|Tetroxoprim, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Tetroxoprim BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Tetroxoprim
CAS Number	53808-87-0	Molecular Weight	334.37
Density	1.232g/cm3	Boiling Point	564.1ºC at 760mmHg
Molecular Formula	C₁₆H₂₂N₄O₄	Melting Point	/
MSDS	/	Flash Point	294.9ºC

Names

Name	5-[[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Synonym	More Synonyms

Tetroxoprim BiologicalActivity

Description	Tetroxoprim is an antimicrobial DHFR inhibitor[1].
Related Catalog	Research Areas >>InfectionSignaling Pathways >>Cell Cycle/DNA Damage >>AntifolateResearch Areas >>Inflammation/Immunology
In Vitro	Tetroxoprim brings about a 50% in vitro inhibition with E. coli, at a concentration of 4 x 10-9M[1].
References	[1]. H S Aschhoff, et al. Tetroxoprim--a new inhibitor of bacterial dihydrofolate reductase. J Antimicrob Chemother. 1979 Nov;5(B):19-25.

Chemical & Physical Properties

Density	1.232g/cm3
Boiling Point	564.1ºC at 760mmHg
Molecular Formula	C₁₆H₂₂N₄O₄
Molecular Weight	334.37
Flash Point	294.9ºC
Exact Mass	334.16400
PSA	114.74000
LogP	2.43660
Index of Refraction	1.587
InChIKey	WSWJIZXMAUYHOE-UHFFFAOYSA-N
SMILES	COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UV8190000

CHEMICAL NAME :: Pyrimidine, 2,4-diamino-5-(3,5-dimethoxy-4-(2-methoxyethoxy)benzy l)-

CAS REGISTRY NUMBER :: 53808-87-0

BEILSTEIN REFERENCE NO. :: 4271695

LAST UPDATED :: 199612

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C16-H22-N4-O4

MOLECULAR WEIGHT :: 334.42

WISWESSER LINE NOTATION :: T6N CNJ BZ DZ E1R CO1 EO1 DO2O1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1172 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - muscle contraction or spasticity

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,895,1979

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - muscle contraction or spasticity

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,895,1979

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1060 mg/kg

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

REFERENCE :: JCHEEU Journal of Chemotherapy. (Edizioni Riviste Scientifiche, via R. Giuliani, 419, 50141 Florence, Italy) V.1- 1989- Volume(issue)/page/year: 5,400,1993

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1410 mg/kg

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

REFERENCE :: JCHEEU Journal of Chemotherapy. (Edizioni Riviste Scientifiche, via R. Giuliani, 419, 50141 Florence, Italy) V.1- 1989- Volume(issue)/page/year: 5,400,1993

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 192 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,895,1979

Safety Information

Hazard Codes	Xi
HS Code	2933599090

Customs

HS Code	2933599090
Summary	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

Tetroxoprima

Tetroxoprime [INN-French]

Tetroxoprimum [INN-Latin]

Tetroxoprime

Tetroxoprim

Tetroxoprimum

He 781

Tetroxoprima [INN-Spanish]

Tetroxoprima [Spanish]

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