AG001BO4

139755-85-4 | 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-

AG001BO4

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CAS Number	139755-85-4
Catalog Number	AG001BO4(AGN-PC-0LGJC2)
Chemical Name	7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-
IUPAC Name	5-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
InChI	InChI=1S/C23H32N6O5S/c1-4-6-18-20-21(27(3)26-18)23(31)25-22(24-20)17-15-16(7-8-19(17)34-5-2)35(32,33)29-11-9-28(10-12-29)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,24,25,31)
InChI Key	NEYKRKVLEWKOBI-UHFFFAOYSA-N
MDL Number	MFCD00908400
Molecular Formula	C23H32N6O5S
Molecular Weight	504.6024
SMILES	CCCc1nn(c2c1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)CCO)C
UNII	80X7B1F6NW
Synonyms	1-((3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine citrate, acetildenafil, Citrate, Sildenafil, desmethyl sildenafil, desmethylsildenafil, homosildenafil, hydroxyhomosildenafil, Lactate, Sildenafil, NCX 911, NCX-911, NCX911, Nitrate, Sildenafil, Revatio, sildenafil, sildenafil citrate, sildenafil lactate, sildenafil nitrate, Sildenafil, Desmethyl, UK 92,480 10, UK 92480 10, UK 92480-10, UK 9248010, UK-92,480-10, Viagra, Hydroxyhomo Sildenafil, hydroxyhomosildenafil, 139755-85-4, Lodenafil, UNII-80X7B1F6NW, CHEMBL53538, 80X7B1F6NW, 5-(2-Ethoxy-5-((4-(2-hydroxyethyl)-1-piperazinyl)sulfonyl)phenyl)-1,6-dihydro-1-Methyl-3-propyl-7H-pyrazolo(4,3-d)pyriMidin-7-one, 5-(2-Ethoxy-5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one, Hydroxyhomosidenafil, 5-[2-Ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one, AC1NHNM3, SCHEMBL1058, PYR383, SCHEMBL18416781, C23H32N6O5S, CTK8E7607, DTXSID60161161, NEYKRKVLEWKOBI-UHFFFAOYSA-N, KS-000000OD, BDBM50287550, MFCD00908400, ZINC21981375, AKOS003588703, AKOS030228062, API0010395, FT-0669662, Y0499, J-007310, 5-(2-ethoxy-5-(4-(2-hydroxyethyl)piperazin-1-ylsulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one, 5-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one, 5-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-sulfonyl]-phenyl}-1-methyl-3-propyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one, 5-{2-ethoxy-5-[4-(2-hydroxyethyl)piperazinylsulphonyl]-phenyl}-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-pyrimidin-7-one, CID4742795, CID 4742795, 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-,

Complexity	872
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	504.215g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	504.606g/mol
Monoisotopic Mass	504.215g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	138A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number