AG001BNR

139756-22-2 | Benzenesulfonyl chloride, 3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-

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CAS Number	139756-22-2
Catalog Number	AG001BNR(AGN-PC-0POURR)
Chemical Name	Benzenesulfonyl chloride, 3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-
IUPAC Name	4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride
InChI	InChI=1S/C17H19ClN4O4S/c1-4-6-12-14-15(22(3)21-12)17(23)20-16(19-14)11-9-10(27(18,24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3,(H,19,20,23)
InChI Key	RVVOSOSBFSYZDM-UHFFFAOYSA-N
MDL Number	MFCD09753597
Molecular Formula	C17H19ClN4O4S
Molecular Weight	410.8752
SMILES	CN1N=C(CCC)C(NC(C3=C(OCC)C=CC(S(=O)(Cl)=O)=C3)=N2)=C1C2=O
UNII	2Y70Q28MLE
Synonyms	139756-22-2, 4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzene-1-sulfonyl chloride, Sildenafil chlorosulfonyl, 5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one, UNII-2Y70Q28MLE, 2Y70Q28MLE, 4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo-[4,3-d]pyrimidin-5-yl)benzene-1-sulfonyl chloride, AK-59085, C17H19ClN4O4S, 5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo(4,3-d)pyrimidin-7-one, Benzenesulfonyl chloride, 3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxy-, Sildenafil chlorosulfonyl impurity, Benzenesulfonyl chloride, 3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-, SCHEMBL1071, BEN700, CTK4C1935, KS-00000IAN, DTXSID00461096, RVVOSOSBFSYZDM-UHFFFAOYSA-N, 6798AA, ANW-44647, MFCD09753597, ZINC67665368, AKOS015999203, AM84370, AN-6552, QC-6795, AC-27032, Benzenesulfonyl chloride, 3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxy-, AB0096756, AX8166933, FT-0664954, ST24029071, J-007315, [3-(4,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl chloride, 3-(4,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-benzenesulfonyl Chloride, 4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzene-1-sulfonyl chloride, 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride, 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride, 5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H- pyrazolo[4,3-d]pyrimidin-7-one, 5-[5-(Chlorosulfonyl)-2-ethoxyphenyl]-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidine-7(6H)-one, Sildenafil Chlorosulfonyl (5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one), C17 H19 Cl N4 O4 S, CID11281339, CID 11281339, 5- -1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one, 4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzene-1-sulfonylchloride, Bencensulfonil cloruro, 3-(6,7-dihidro-1-metil-7-oxo-3-propil-1h-pirazolo[4,3-d]pirimidin-5-il)-4-etoxi-,

Complexity	696
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	410.082g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	410.873g/mol
Monoisotopic Mass	410.082g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

Lot Number