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Brodimoprim structure, CAS 56518-41-3

Brodimoprim

CAS Number56518-41-3

Synonyms5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine-2,4-diamine; Brodimoprim; 5-(4-Bromo-3,5-dimethoxybenzyl)-2,4-pyrimidinediamine; 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine; 5-[(4-Bromo-3,5-dimethoxyphenyl)methyl]-2,4-pyrimidinediamine; Ro-10-5970; EINECS 260-238-8

Molecular FormulaC13H15BrN4O2

Molecular Weight339.19

Purity98.00%

Density1.5±0.1 g/cm3

Boiling Point563.8±60.0 °C at 760 mmHg

Melting Point225-228°

Flash Point

AppearanceWhite to light yellow solid

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9044643 Purity: 98.00%
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Quality Control of [ 56518-41-3 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number56518-41-3
Catalog No.2A-9044643
Chinese Name溴莫普林
Synonyms5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine-2,4-diamine; Brodimoprim; 5-(4-Bromo-3,5-dimethoxybenzyl)-2,4-pyrimidinediamine; 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine; 5-[(4-Bromo-3,5-dimethoxyphenyl)methyl]-2,4-pyrimidinediamine; Ro-10-5970; EINECS 260-238-8
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19
Purity98.00
Density1.5±0.1 g/cm3
Boiling Point563.8±60.0 °C at 760 mmHg
Melting Point225-228°
AppearanceWhite to light yellow solid
Storage Condition20°C, inert gas
ApplicationBrodimoprim (Ro 10-5970) is a trimethoprim analog and an orally active dihydrofolate reductase inhibitor. Brodimoprim is highly active against a broad spectrum of Gram-negative and Gram-positive bacte
HTC2933599090
PubChem ID644137
MDL NumberC13H15BrN4O2
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br
InChIInChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)
InChI KeyBFCRRLMMHNLSCP-UHFFFAOYSA-N
MSDSmsds/44643_1_56518_41_3.pdf
Use ofBrodimoprim (Ro 10-5970), a trimethoprim analogue, is an orally active dihydrofolate reductase inhibitor. Brodimoprim is highly active against a broad spectrum of gram-negative and gram-positive bacteria[1]. Properties Name Brodimoprim Synonym More Synonyms Brodimoprim Biological Activity Description Brodimoprim (Ro 10-5970), a trimethoprim analogue, is an orally active dihydrofolate reductase inhibitor. Brodimoprim is highly active against a broad spectrum of gram-negative and gram-positive bacteria[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial References [1]. Weidekamm E. Pharmacokinetics of brodimoprim. J Chemother. 1993;5(6):475-479. [2]. Marchese A, et al. Brodimoprim: effects of subminimal inhibitory concentrations on virulence traits of respiratory and urinary tract pathogens, and on plasmid transfer and stability. J Chemother. 1996;8(3):171-177. Chemical & Physical Properties Molecular Formula C13H15BrN4O2 Exact Mass 338.037842 PSA 96.28000 Index of Refraction 1.646 InChIKey BFCRRLMMHNLSCP-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 2,4-Pyrimidinediamine, 5-((4-bromo-3,5-dimethoxyphenyl)methyl)- CAS REGISTRY NUMBER : 56518-41-3 BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C13-H15-Br-N4-O2 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - excitement Lungs, Thorax, or Respiration - other changes 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 - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - excitement Lungs, Thorax, or Respiration - other changes 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 - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold 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 : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold 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 : TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression 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 : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold 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 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Nutritional and Gross Metabolic - weight loss or decreased weight gain 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 : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - weight loss or decreased weight gain 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 Safety Information Hazard Codes Xn HS Code 2933599090 Precursor & DownStream Precursor 0 DownStream 1 CAS#:96103-67-2 2-bromo-5-[(2,4...
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: 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%
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