AG01CCPN

66644-81-3 | Benzamide,5-(aminosulfonyl)-2,3-dimethoxy-N-[[1-(2-propenyl)-2-pyrrolidinyl]methyl]-

AG01CCPN

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CAS Number	66644-81-3
Catalog Number	AG01CCPN(AGN-PC-0TLEEA)
Chemical Name	Benzamide,5-(aminosulfonyl)-2,3-dimethoxy-N-[[1-(2-propenyl)-2-pyrrolidinyl]methyl]-
EC Number	266-435-5
IUPAC Name	2,3-dimethoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide
InChI	InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)
InChI Key	RYJXBGGBZJGVQF-UHFFFAOYSA-N
MDL Number	MFCD00867658
Molecular Formula	C17H25N3O5S
Molecular Weight	383.4625
SMILES	O=C(NCC1N(CC=C)CCC1)C2=CC(S(=O)(N)=O)=CC(OC)=C2OC
Synonyms	Agréal, Agreal, Menofel, N-(1-allyl-2-pyrrolidinyl)methyl-2,3-dimethoxy-5-sulfamoylbenzamide, Veraligral, veralipride, veralipride monohydrochloride, VERALIPRIDE, 66644-81-3, Agreal, Veralipride [INN], LIR 1660, Velaripride, Veralipride (INN), NCGC00160642-01, Veraliprida, Veralipridum, Agradil, Benzamide,5-(aminosulfonyl)-2,3-dimethoxy-N-[[1-(2-propen-1-yl)-2-pyrrolidinyl]methyl]-, (+/-)-Veralipride, Veralipridum [INN-Latin], Veraliprida [INN-Spanish], EINECS 266-435-5, Agreal (TN), PubChem19637, AC1L2J4C, DSSTox_CID_26268, DSSTox_RID_81495, DSSTox_GSID_46268, SCHEMBL237519, CHEMBL2105581, DTXSID6046268, CTK5C5001, CHEBI:135600, N-((1-Allyl-2-pyrrolidinylmethyl)-5-sulfamoyl-2-veratramid, LIR-1660, Tox21_111949, N-((1-Allyl-2-pyrrolidinyl)methyl)-2,3-dimethoxy-5-sulfamoylbenzamid, N-(1-allyl-2-pyrrolidinyl)methyl-2,3-dimethoxy-5-sulfamoylbenzamide, AKOS025402237, AC-6822, AN-9658, CS-6854, 5-(Aminosulfonyl)-2,3-dimethoxy-N-[[1-(2-propen-1-yl)-2-pyrrolidinyl]methyl]benzamide, AK608587, P755, CAS-66644-81-3, HY-101797, FT-0630767, D07311, 644V813, N-((1-Allyl-2-pyrrolidinyl)methyl)-5-sulfamoyl-o-veratramide, N-[(1-Allyl-2-pyrrolidinyl)methyl]-5-sulphamoyl-2-veratramide, N-((1-Allylpyrrolidin-2-yl)methyl)-2,3-dimethoxy-5-sulfamoylbenzamide, N-[(1-allylpyrrolidin-2-yl)methyl]-2,3-dimethoxy-5-sulfamoyl-benzamide, 2,3-dimethoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide, Benzamide,5-(aminosulfonyl)-2,3-dimethoxy-N-[[1-(2-propenyl)-2-pyrrolidinyl]methyl]-, Veraligral, Menofel, veralipride monohydrochloride, UNII-S7064109UD, C17H25N3O5S, CID47979, C17-H25-N3-O5-S, S7064109UD, C027429, N-[(1-allyl-2-pyrrolidinyl)methyl]-5-sulfamoyl-o-veratramide,

Complexity	592
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	383.151g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	383.463g/mol
Monoisotopic Mass	383.151g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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