AG001MJV

150375-75-0 | 2-Pyrrolidinecarboxamide, 1-[[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)sulfonyl]-2,3-dihydro-3-hydroxy-1H-indol-2-yl]carbonyl]-, (2S)-

AG001MJV

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CAS Number	150375-75-0
Catalog Number	AG001MJV(AGN-PC-0Q4N4V)
Chemical Name	2-Pyrrolidinecarboxamide, 1-[[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)sulfonyl]-2,3-dihydro-3-hydroxy-1H-indol-2-yl]carbonyl]-, (2S)-
IUPAC Name	(2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]pyrrolidine-2-carboxamide
InChI	InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1
InChI Key	CEBYCSRFKCEUSW-NAYZPBBASA-N
MDL Number	MFCD00922133
Molecular Formula	C28H27Cl2N3O7S
Molecular Weight	620.5009
SMILES	O=C([C@H]1N(C([C@@H]2N(S(=O)(C3=CC=C(OC)C(OC)=C3)=O)C4=C(C=C(Cl)C=C4)[C@@]2(C5=CC=CC=C5Cl)O)=O)CCC1)N
UNII	C1GL8G6G0O
Synonyms	1-(5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxybenzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide, 2-Pyrrolidinecarboxamide, 1-((5-chloro-3-(2-chlorophenyl)-1-((3,4-dimethoxyphenyl)sulfonyl)-2,3-dihydro-3-hydroxy-1H-indol-2-yl)carbonyl)-, (2R-(2alpha(S*),3beta))-, relcovaptan, SR 49059, SR-49059, Relcovaptan, SR 49059, 150375-75-0, SR-49059, Relcovaptan [INN], UNII-C1GL8G6G0O, SR49059, C1GL8G6G0O, CHEMBL419667, (2S)-1-[[(2R,3S)-5-CHLORO-3-(2-CHLOROPHENYL)-1-[(3,4-DIMETHOXYPHENYL)SULFONYL]-2,3-DIHYDRO-3-HYDROXY-1H-INDOL-2-YL]CARBONYL]-2-PYRROLIDINECARBOXAMIDE, 1-(5-Chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxybenzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide, 2-Pyrrolidinecarboxamide, 1-((5-chloro-3-(2-chlorophenyl)-1-((3,4-dimethoxyphenyl)sulfonyl)-2,3-dihydro-3-hydroxy-1H-indol-2-yl)carbonyl)-, (2R-(2alpha(S*),3beta))-, [3H]relcovaptan, (2S)-1-(((2R,3S)-5-Chloro-3-(o-chlorophenyl)-1-((3,4-dimethoxyphenyl)sulfonyl)-3-hydroxy-2-indolinyl)carbonyl)-2-pyrrolidinecarboxamide, (S)-1-((2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenylsulfonyl)-3-hydroxyindoline-2-carbonyl)pyrrolidine-2-carboxamide, NCGC00092366-02, (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy2H-indole-2-carbonyl]pyrrolidine-2-carboxamide, [3H]SR49059, [3H]SR-49059, [3H] SR 49059, AC1Q5IRB, AC1L1U7F, Relcovaptan (SR49059), Relcovaptan (SR-49059), C28H27Cl2N3O7S, GTPL2200, GTPL3482, SCHEMBL4387208, CHEBI:93701, AOB5368, HMS3268L06, HMS3677E08, TDI-0134, ZINC3931527, BDBM50114031, MFCD00922133, AKOS024457044, NCGC00092366-01, CC-00441, LS-137352, B7013, SR 49059, >=97% (HPLC), C-35608, SR-01000945058, J-008692, SR-01000945058-1, BRD-K96720755-001-01-8, (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxybenzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl]-pyrrolidine-2-carboxamide, (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]pyrrolidine-2-carboxamide, (2S)-1-[[(2R,3S)-5-Chloro-3-(2-chlorophenyl)-1-[(3,4dimethoxyphenyl)sulfonyl]-2,3-dihydro-3-hydroxy-1H-indol-2-yl] carbonyl]-2-pyrrolidinecarboxamide, (S)-1-[(2R,3S)-5-Chloro-3-(2-chloro-phenyl)-1-(3,4-dimethoxy-benzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl]-pyrrolidine-2-carboxylic acid amide, 1-({(2r,3s)-5-chloro-3-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)sulfonyl]-3-hydroxy-2,3-dihydro-1h-indol-2-yl}carbonyl)-l-prolinamide, 1-[5-Chloro-3-(2-chloro-phenyl)-1-(3,4-dimethoxy-benzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl]-pyrrolidine-2-carboxylic acid amide, 2-Pyrrolidinecarboxamide, 1-[[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)sulfonyl]-2,3-dihydro-3-hydroxy-1H-indol-2-yl]carbonyl]-, (2S)-, D0I8ZZ, D0WH4H, CID60943, C082134,

Complexity	1090
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	619.095g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	620.498g/mol
Monoisotopic Mass	619.095g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	148A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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