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CAS No.: | 224789-15-5 |
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Name: | Vardenafil dihydrochloride |
Molecular Structure: | |
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; |
EINECS: | 200-659-6 |
Melting Point: | 214-216°C |
Boiling Point: | 692.2oC at 760mmHg |
Flash Point: | 372.5oC |
Hazard Symbols: | F,T |
Risk Codes: | 11-23/24/25-39/23/24/25 |
Safety: | 7-16-36/37-45 |
PSA: | 121.28000 |
LogP: | 4.63100 |
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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