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Vardenafil hydrochloride - 10mM in DMSO, high purity , CAS No.224785-91-5
Basic Description
Synonyms
Vardenafil hydrochloride | 224785-91-5 | Vardenafil HCL | Vardenafil (hydrochloride) | Vardenafil hydrochloride [USAN] | VARDENAFIL MONOHYDROCHLORIDE | Vardenafil, Hydrochloride Salt | IF61NL91H3 | vardenafil hydrochloride anhydrous | BAY 38-9456 | Nuviva | 224789-15-5 | 2-(2-et
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds Phenoxy compounds Phenol ethers N-alkylpiperazines Alkyl aryl ethers Organosulfonamides N-substituted imidazoles 1,2,4-triazines Sulfonyls Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - N-substituted imidazole - Piperazine - Organosulfonic acid amide - Triazine - 1,2,4-triazine - Heteroaromatic compound - Sulfonyl - Azole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Imidazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Hydrochloride - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
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-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;hydrochloride
INCHI
InChI=1S/C23H32N6O4S.ClH/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28;/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30);1H
InChIKey
XCMULUAPJXCOHI-UHFFFAOYSA-N
Smiles
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C.Cl
Isomeric SMILES
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C.Cl
PubChem CID
135438569
Molecular Weight
525.06
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
525.100 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
8
Exact Mass
524.197 Da
Monoisotopic Mass
524.197 Da
Topological Polar Surface Area
118.000 Ų
Heavy Atom Count
35
Formal Charge
0
Complexity
854.000
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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