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Razaxaban hydrochloride - 98% (HPLC), high purity , CAS No.405940-76-3
Basic Description
Synonyms
BMS 561389 | HY-11091 | 405940-76-3 (HCl) | Razaxaban Hydrochloride [USAN] | AKOS040736566 | Razaxaban Hydrochloride | DTXSID10193598 | SCHEMBL6885838 | 2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-5-(trifl
Specifications & Purity
≥98%(HPLC)
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Not available
Direct Parent
Aromatic anilides
Alternative Parents
Phenylimidazoles Benzisoxazoles 2-heteroaryl carboxamides Pyrazole-5-carboxamides Aralkylamines Fluorobenzenes Aryl fluorides Imidolactams N-substituted imidazoles Heteroaromatic compounds Isoxazoles Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Alkyl fluorides Organooxygen compounds Hydrochlorides Hydrocarbon derivatives Organopnictogen compounds Primary amines Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aromatic anilide - 1-phenylimidazole - Benzisoxazole - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Aralkylamine - Fluorobenzene - Halobenzene - N-substituted imidazole - Aryl fluoride - Aryl halide - Imidolactam - Azole - Isoxazole - Pyrazole - Heteroaromatic compound - Imidazole - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Primary amine - Organic nitrogen compound - Hydrochloride - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;hydrochloride
INCHI
InChI=1S/C24H20F4N8O2.ClH/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19;/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37);1H
InChIKey
CASCTHHMARGRLB-UHFFFAOYSA-N
Smiles
CN(C)CC1=NC=CN1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC5=C(C=C4)ON=C5N)C(F)(F)F)F.Cl
Isomeric SMILES
CN(C)CC1=NC=CN1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC5=C(C=C4)ON=C5N)C(F)(F)F)F.Cl
PubChem CID
204101
Molecular Weight
564.92
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
564.900 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
11
Rotatable Bond Count
6
Exact Mass
564.141 Da
Monoisotopic Mass
564.141 Da
Topological Polar Surface Area
120.000 Ų
Heavy Atom Count
39
Formal Charge
0
Complexity
838.000
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
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