≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Rilmazafone hydrochloride (450191S) is a benzodiazepine (omega) ligand.
In Vivo
When the animals are pretreated with high doses of Rilmazafone hydrochloride (450191-S; 200 or 600 mg/kg for 5 or 3 days, respectively) to induce hepatic drug-metabolizing enzymes, plasma concentrations of the metabolites after oral administration of a dose of 200 mg/kg of Rilmazafone decrease markedly depending on the induced enzyme activity. Pretreatment of rats with phenobarbital also causes decreased plasma levels of metabolites, which are almost the same as those in Rilmazafone-pretreatment. On the other hand, administration of beta-naphthoflavone to rats leads to higher plasma levels of metabolites, and slower elimination compared with those in the control and Rilmazafone or Phenobarbital pretreated rats. Rilmazafone is demonstrated to stimulate the hepatic drug-metabolizing enzymes in rats, mice and dogs, which is accompanied by a marked reduction in the pharmacological activity of pentobarbital in rats. The induction of hepatic enzyme activities by Rilmazafone is detected only when the plasma concentrations of its metabolites are very high. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal administration
Mice Adult male rats of the Jcl Sprague-Dawley strain, 7-8 weeks old , are used for the experiments. The animals are kept in an air-conditioned room (25±1°C, 50-60% humidity) lighted 12 hr a day (8:00-20:00) and maintain on com mercial rat chow and water ad libitum. Rilmazafone is dissolved in 5% (w/v) arabic gum at 20 or 60 mg/mL, and the resulting solution is administered orally to rats at 1.0 mL/100 g body weight for 3-5 days . Typical inducers, phenobarbital (in physiological saline) and beta-naphthoflavone (in sesame oil), are administered intraperitoneally at a dose of 40 mg/kg, once daily for 3 days. The animals are fasted for 24 hr after the last adminis tration of Rilmazafone or inducers, and then the test solution of Rilmazafone (20 mg/mL of 5% arabic gum) is given orally to rats at a dose of 200 mg/kg. Heparinized blood samples are obtained from the abdominal aorta under ether anesthesia and centrifuged immediately to obtain plasma samples using an Eppendorf centrifuge Type 5414S. aladdin has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
| Canonical Smiles | CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl.Cl |
|---|---|
| IUPAC Name | 5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide;hydrochloride |
| InChIKey | KHINGHZNENOVFD-UHFFFAOYSA-N |
| INCHI | 1S/C21H20Cl2N6O3.ClH/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23;/h3-9H,10-11,24H2,1-2H3,(H,25,30);1H |
| Isomeric SMILES | CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl.Cl |
| Alternate CAS | 85815-37-8,99593-25-6 (Parent) |
| PubChem CID | 9958041 |
| MeSH Entry Terms | 1-(2-(2-chlorobenzoyl)-4-chlorophenyl)-5-glycylaminomethyl-3-dimethylaminocarbonyl-1H-1,2,4-triazole hydrochloride;450191-S;rilmazafone;rilmazafone hydrochloride;S 450191;S-450191 |
| Molecular Weight | 511.79 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Aryl-phenylketones Diphenylmethanes Alpha amino acid amides Phenyl-1,2,4-triazoles 2-heteroaryl carboxamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Monoalkylamines Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzophenone - Diphenylmethane - Aryl-phenylketone - Alpha-amino acid amide - Phenyltriazole - Phenyl-1,2,4-triazole - Alpha-amino acid or derivatives - Benzoyl - 2-heteroaryl carboxamide - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Azole - Tertiary carboxylic acid amide - Triazole - 1,2,4-triazole - Vinylogous halide - Amino acid or derivatives - Ketone - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
| External Descriptors | Not available |
| Solubility | DMSO : 250 mg/mL (488.48 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 511.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 510.074 Da |
| Monoisotopic Mass | 510.074 Da |
| Topological Polar Surface Area | 123.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 696.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
