5-((3,4,5-trimethoxyphenyl)methyl)-2,4-pyrimidinediamine (CAS 738-70-5) — formula C14H18N4O3, molecular weight 290.32; category organic chemicals.
| CAS Number | 738-70-5 |
|---|---|
| Molecular Formula | C14H18N4O3 |
| Molecular Weight | 290.32 |
| Melting Point | 390 to 397 °F (NTP, 1992) |
| LogP | 0.91 |
| Applications | Uses: Veterinary antimicrobial agent, Has a broad spectrum of antimicrobial activity and extends the spectrum of sulfamethoxazole to include many urinary and systemic pathogens untreatable by this sulfa drug alone., MEDICATION (VET), MEDICATION, Use (kg) in Switzerland (2009): >250, Use (kg, approx.) in Germany (2009): ?7500, exact) in Germany (2009): 7475, Use (kg) in USA (2002): 463, Use (kg) in France (2004): 3346, Consumption (g per capita) in Switzerland (2009): 0.032, Consumption (g per capita, approx.) in Germany (2009): 0.092, exact) in Germany (2009): 0.091, Consumption (g per capita) in the USA (2002): 0.0016, Consumption (g per capita) in France (2004): 0.055, Excretion rate: 0.6, Calculated removal (%): 8.8, Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients, Pharmaceuticals -> Animal Drugs -> Approved in Taiwan, Methods of Manufacturing: Prepn from guanidine and beta-ethoxy-3, 4, 5-trimethoxybenzylbenzalnitrile, Trimethoprim, is a, drug that, is, made from vanillin., Formulations, Preparations: Preparations: Tablets, 100 and 200 mg., Component of Bactrin and Septra, General Manufacturing Information: See sulfamethoxazole, sulfadiazine, sulfametrole, sulfamoxole, and sulfalene for list of trade names of mixtures with trimethoprim., Authorized or allowed for use in aquaculture in certain European countries., Solid phase reactions between trimethoprim & sulfamethoxazole were investigated by IR spectrometry & differential scanning calorimetry in 4 tablet formulations. Heating & humidity were found to enhance the conditions for reactions, with the most likely manufacturing step causing reactions being wet granulation. Mixing, grinding & compression of powders caused no interactions. |
| Category | Organic Chemicals |
Documented applications: Uses: Veterinary antimicrobial agent, Has a broad spectrum of antimicrobial activity and extends the spectrum of sulfamethoxazole to include many urinary and systemic pathogens untreatable by this sulfa drug alone., MEDICATION (VET), MEDICATION, Use (kg) in Switzerland (2009): >250, Use (kg, approx.) in Germany (2009): ?7500, exact) in Germany (2009): 7475, Use (kg) in USA (2002): 463, Use (kg) in France (2004): 3346, Consumption (g per capita) in Switzerland (2009): 0.032, Consumption (g per capita, approx.) in Germany (2009): 0.092, exact) in Germany (2009): 0.091, Consumption (g per capita) in the USA (2002): 0.0016, Consumption (g per capita) in France (2004): 0.055, Excretion rate: 0.6, Calculated removal (%): 8.8, Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients, Pharmaceuticals -> Animal Drugs -> Approved in Taiwan, Methods of Manufacturing: Prepn from guanidine and beta-ethoxy-3, 4, 5-trimethoxybenzylbenzalnitrile, Trimethoprim, is a, drug that, is, made from vanillin., Formulations, Preparations: Preparations: Tablets, 100 and 200 mg., Component of Bactrin and Septra, General Manufacturing Information: See sulfamethoxazole, sulfadiazine, sulfametrole, sulfamoxole, and sulfalene for list of trade names of mixtures with trimethoprim., Authorized or allowed for use in aquaculture in certain European countries., Solid phase reactions between trimethoprim & sulfamethoxazole were investigated by IR spectrometry & differential scanning calorimetry in 4 tablet formulations. Heating & humidity were found to enhance the conditions for reactions, with the most likely manufacturing step causing reactions being wet granulation. Mixing, grinding & compression of powders caused no interactions..
5-((3,4,5-trimethoxyphenyl)methyl)-2,4-pyrimidinediamine is a carbon-based organic compound with CAS registry number 738-70-5 and molecular formula C14H18N4O3 (molecular weight 290.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 738-70-5
Its molecular formula C14H18N4O3 comprises 14 C, 18 H, 4 N, 3 O atoms.
Also known as: 5-((3,4,5-trimethoxyphenyl)methyl)-2,4-pyrimidinediamine · 5-((3,4,5-三甲氧基苯基)甲基)-2,4-嘧啶二胺
Category: organic chemicals
The CAS registry number of 5-((3,4,5-trimethoxyphenyl)methyl)-2,4-pyrimidinediamine is 738-70-5.
Molecular formula C14H18N4O3, molecular weight 290.32.
It is also registered under: 5-((3,4,5-trimethoxyphenyl)methyl)-2,4-pyrimidinediamine, 5-((3,4,5-三甲氧基苯基)甲基)-2,4-嘧啶二胺.
Recorded applications: Uses: Veterinary antimicrobial agent, Has a broad spectrum of antimicrobial activity and extends the spectrum of sulfamethoxazole to include many urinary and systemic pathogens untreatable by this sulfa drug alone., MEDICATION (VET), MEDICATION, Use (kg) in Switzerland (2009): >250, Use (kg, approx.) in Germany (2009): ?7500, exact) in Germany (2009): 7475, Use (kg) in USA (2002): 463, Use (kg) in France (2004): 3346, Consumption (g per capita) in Switzerland (2009): 0.032, Consumption (g per capita, approx.) in Germany (2009): 0.092, exact) in Germany (2009): 0.091, Consumption (g per capita) in the USA (2002): 0.0016, Consumption (g per capita) in France (2004): 0.055, Excretion rate: 0.6, Calculated removal (%): 8.8, Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients, Pharmaceuticals -> Animal Drugs -> Approved in Taiwan, Methods of Manufacturing: Prepn from guanidine and beta-ethoxy-3, 4, 5-trimethoxybenzylbenzalnitrile, Trimethoprim, is a, drug that, is, made from vanillin., Formulations, Preparations: Preparations: Tablets, 100 and 200 mg., Component of Bactrin and Septra, General Manufacturing Information: See sulfamethoxazole, sulfadiazine, sulfametrole, sulfamoxole, and sulfalene for list of trade names of mixtures with trimethoprim., Authorized or allowed for use in aquaculture in certain European countries., Solid phase reactions between trimethoprim & sulfamethoxazole were investigated by IR spectrometry & differential scanning calorimetry in 4 tablet formulations. Heating & humidity were found to enhance the conditions for reactions, with the most likely manufacturing step causing reactions being wet granulation. Mixing, grinding & compression of powders caused no interactions..
Category: Organic Chemicals.
Independent reference data for 5-((3,4,5-trimethoxyphenyl)methyl)-2,4-pyrimidinediamine (CAS 738-70-5), compiled from public chemistry databases.
| CAS Registry Number | 738-70-5 |
|---|---|
| PubChem CID | 5578 |
| Molecular formula | C14H18N4O3 |
| IUPAC name | 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine |
| UNII (FDA) | AN164J8Y0X |
| Molecular Weight | 290.32 |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 290.13789045 |
| Monoisotopic Mass | 290.13789045 |
| Topological Polar Surface Area | 106 |
| Heavy Atom Count | 21 |
| Melting Point | 390 to 397 °F (NTP, 1992) |
|---|---|
| Melting Point | 199-203 °C |
| Melting Point | 199 - 203 °C |
| Solubility | 400 |
| Solubility | In water, 400 mg/l @ 25 °C |
| Solubility | 6.15e-01 g/L |
| LogP | 0.91 |
| LogP | log Kow = 0.91 |
| LogP | 0.6 |
| LogP | 0.92 |
trimethoprim; 738-70-5; Proloprim; Trimpex; 2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine; Trimetoprim; Monotrim; Trimopan; Wellcoprim; Syraprim; Monoprim; Uretrim; Trimethoprime; Trimethoprimum; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine; Trimetoprima
| GHS notification summary | 7.9% (11 / 140) |
|---|
| GHS notification summary | 7.9% (11 / 140) |
|---|---|
| Reported hazard statements | H302 (85%), H361 (30.7%), H372 (26.4%), H411 (26.4%), H301, H360, H362, H373 |
This chemical does not meet GHS hazard criteria for 7.9% (11 of 140) of reports.
H302 (85%): Harmful if swallowed [Warning Acute toxicity, oral]
5-((3,4,5-trimethoxyphenyl)methyl)-2,4-pyrimidinediamine · CAS 738-70-5 · C14H18N4O3. UNII AN164J8Y0X. Melting Point: 390 to 397 °F (NTP, 1992); Melting Point: 199-203 °C; Melting Point: 199 - 203 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.