Basic information
- Name:
Imidazo[5,1-f][1,2,4]triazin-4(1H)-one,2-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-5-methyl-7-propyl-,hydrochloride (1:2)
- Superlist Name:
- Vardenafil dihydrochloride
- CAS No.:
224789-15-5
- Molecular Structure:
![Molecular Structure of 224789-15-5 (Imidazo[5,1-f][1,2,4]triazin-4(1H)-one,2-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-5-methyl-7-propyl-,hydrochloride (1:2))](http://www.lookchem.com/300w/2010/0620/224789-15-5.jpg)
- Formula:
- C23H32N6O4S.2HCl
- Molecular Weight:
- 561.53
- Synonyms:
- Piperazine,1-[[3-(1,4-dihydro-5-methyl-4-oxo-7-propylimidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxyphenyl]sulfonyl]-4-ethyl-,dihydrochloride (9CI);Vardenafil dihydrochloride;Bay 38-9456;2-(2-Ethoxy-5-(4-ethylpiperazin-1-yl-1-sulfonyl)phenyl)-5-;Levitra;Staxyn;Vardenafil dihydrochloride;
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Specification
The Vardenafil dihydrochloride, with the CAS registry number 224789-15-5, has the IUPAC name of 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-. And the molecular formula of the chemical is C23H32N6O4S.2(HCl).
The characteristics of Vardenafil dihydrochloride are as followings: (1)H-Bond Donor 3; (2)H-Bond Acceptor 8; (3)Rotatable Bond Count 8; (4)Tautomer Count 21; (5)Exact Mass 560.17393; (6)MonoIsotopic Mass 560.17393; (7)Topological Polar Surface Area 118; (8)Heavy Atom Count 36; (9)Formal Charge 0; (10)Complexity 854; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 0; (14)Defined Bond StereoCenter Count 0; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C.Cl.Cl
(2)InChI: InChI=1S/C23H32N6O4S.2ClH/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);2*1H
(3)InChIKey: NOIHTGOGFDFCBN-UHFFFAOYSA-N