(3Z)-5-[[(2,6-DICHLOROPHENYL)METHYL]SULFONYL]-3-[[3,5-DIMETHYL-4-[[(2R)-2-(1-PYRROLIDINYLMETHYL)-1-PYRROLIDINYL]CARBONYL]-1H-PYRROL-2-YL]METHYLENE]-1,3-DIHYDRO-2H-INDOL-2-ONE HYDRATE

CAS No.
477575-56-7
CCD No.
CCD04333498
Formula
C32 H34 Cl2 N4 O4 S . H2 O
MolWeight
659.631

Basic Information

Product Name: (3Z)-5-[[(2,6-DICHLOROPHENYL)METHYL]SULFONYL]-3-[[3,5-DIMETHYL-4-[[(2R)-2-(1-PYRROLIDINYLMETHYL)-1-PYRROLIDINYL]CARBONYL]-1H-PYRROL-2-YL]METHYLENE]-1,3-DIHYDRO-2H-INDOL-2-ONE HYDRATE
CAS: 477575-56-7
English Synonyms: (3Z)-5-[[(2,6-DICHLOROPHENYL)METHYL]SULFONYL]-3-[[3,5-DIMETHYL-4-[[(2R)-2-(1-PYRROLINIDYLMETHYL)-1-PYRROLIDINYL]CARBONYL]-1H-PYRROL-2-YL]METHYLENE]-1,3-DIHYDRO-2H-INDOL-2-ONE HYDRATE ; PHA-665752 HYDRATE ; (3Z)-5-[[(2,6-DICHLOROPHENYL)METHYL]SULFONYL]-3-[[3,5-DIMETHYL-4-[[(2R)-2-(1-PYRROLIDINYLMETHYL)-1-PYRROLIDINYL]CARBONYL]-1H-PYRROL-2-YL]METHYLENE]-1,3-DIHYDRO-2H-INDOL-2-ONE HYDRATE ; (2R)-1-[[5-[(Z)-[5-[[(2,6-DICHLOROPHENYL)METHYL]SULFONYL]-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE]METHYL]-2,4-DIMETHYL-1H-PYRROL-3-YL]CARBONYL]-2-(1-PYRROLIDINYLMETHYL)PYRROLIDINE
MDL Number.: MFCD18632554
H bond acceptor: 8
H bond donor: 2
Smile: Cc1c([nH]c(c1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/c5cc(ccc5NC4=O)S(=O)(=O)Cc6c(cccc6Cl)Cl.O
InChi: InChI=1S/C32H34Cl2N4O4S.H2O/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34;/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39);1H2/b24-16-;/t21-;/m1./s1
InChiKey: InChIKey=MKHQWLQMOSOUEQ-SCLITUASSA-N

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Safety information

WGK Germany: 3

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