vardenafil trihydrate hydrochloride

vardenafil trihydrate hydrochloride

CAS: 330808-88-3

Formula: C23H39ClN6O7S

SMILES: O.O.O.Cl.CCCC1=NC(C)=C2N1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(CC)CC1

IUPAC: 2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propyl-3H,4H-imidazo[4,3-f][1,2,4]triazin-4-one trihydrate hydrochloride

InChI: 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

Composition: C (47.70%), H (6.79%), Cl (6.12%), N (14.51%), O (19.34%), S (5.54%)

Molar Mass: 579.11

Atom Count: 77

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	578.2289465
Formal Charge	0
FSP3	0.52
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	FBCDRHDULQYRTB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	132.29
Topological Polar Surface Area	109.13
Polarizability	50.13
Ring Count	4
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.67%	<7 Days	330808-88-3		$46.75-$355.30$46.75$74.80$145.86$224.40$355.30