Vardenafil HCl Trihydrate - ≥98% , CAS No.330808-88-3

CAS: 330808-88-3 Cat. No.: V129664 Molecular Weight: 579.11 EC Number: 685-133-8 PubChem CID: 135413545

GRADE & PURITY ≥98%

Synonyms

Vardenafil HCl Trihydrate | VARDENAFIL HYDROCHLORIDE [USP MONOGRAPH] | Levitra (TN) | Nuviva | VARDENAFIL HYDROCHLORIDE TRIHYDRATE [EP MONOGRAPH] | A816221 | 2-(2-ETHOXY-5-(4-ETHYL-PIPERAZINE-1-SULFONYL)-PHENYL)-5-METHYL-7-PROPYL-3H-IMIDAZO(5,1-F)(1,2,4)T

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Vardenafil HCl Trihydrate is a new type PDE inhibitor with IC50 of 0.7 and 180 nM for PDE5 and PDE1, respectively.

Specifications

Synonyms

Vardenafil HCl Trihydrate | VARDENAFIL HYDROCHLORIDE [USP MONOGRAPH] | Levitra (TN) | Nuviva | VARDENAFIL HYDROCHLORIDE TRIHYDRATE [EP MONOGRAPH] | A816221 | 2-(2-ETHOXY-5-(4-ETHYL-PIPERAZINE-1-SULFONYL)-PHENYL)-5-METHYL-7-PROPYL-3H-IMIDAZO(5, 1-F)(1, 2, 4)T

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C.O.O.O.Cl
• 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;trihydrate;hydrochloride
• InChIKey: FBCDRHDULQYRTB-UHFFFAOYSA-N
• INCHI: 1S/C23H32N6O4S.ClH.3H2O/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;3*1H2
• Isomeric SMILES: CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C.O.O.O.Cl
• Alternate CAS: 224785-90-4，224785-91-5
• PubChem CID: 135413545
• Molecular Weight: 579.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: souble in water ；souble in Ether
• Sensitivity: Moisture sensitive.Air sensitive.Heat sensitive
• Molecular Weight: 579.100 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 578.229 Da
• Monoisotopic Mass: 578.229 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 38
• 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: 5

XLogP3

References

1. Ma Yufeng, Zhang Fengsen, Zhong Yijing, Huang Yongchun, Yixizhuoma , Jia Qiangqiang, Zhang Shoude.  (2023)  A label-free LC/MS-based enzymatic activity assay for the detection of PDE5A inhibitors.  Frontiers in Chemistry,      [PMID:36860644] [10.3389/fchem.2023.1097027]