AG007PRM

216167-82-7 | Butanedioic acid,1-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenyl]ester

AG007PRM

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CAS Number	216167-82-7
Catalog Number	AG007PRM(AGN-PC-0JN7LK)
Chemical Name	Butanedioic acid,1-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenyl]ester
IUPAC Name	4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-4-oxobutanoic acid
InChI	InChI=1S/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)
InChI Key	RKSMVPNZHBRNNS-UHFFFAOYSA-N
MDL Number	MFCD08690469
Molecular Formula	C35H52O5S2
Molecular Weight	616.9144
SMILES	CC(C)(C)C1=CC(SC(C)(C)SC2=CC(=C(OC(=O)CCC(O)=O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
UNII	J1J54V24R4
Synonyms	AGI 1067, AGI-1067, AGI1067, succinobucol, Succinobucol, 216167-82-7, AGI-1067, AGI 1067, Probucol Monosuccinate, CHEMBL83626, UNII-J1J54V24R4, J1J54V24R4, Butanedioic acid,1-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenyl]ester, AGZ-1067, Probucol monosuccinae, Succinobucol (USAN), SuccinobucolAGI 1067), Succinobucol [USAN:INN], AC1L50IF, AC1Q5VS3, SCHEMBL347492, CTK4E7318, AGI1067, DTXSID10176003, ZINC3937467, BDBM50117525, AKOS030254650, CS-7896, DB05399, 4-(2,6-di-tert-butyl-4-(2-(3,5-di-tert-butyl-4-hydroxyphenylthio)propan-2-ylthio)phenoxy)-4-oxobutanoic acid, 4-[2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenoxy]-4-oxobutanoic acid, DA-08174, HY-14937, LS-191256, FT-0674682, D06648, J-014180, 4-(2,6-di-tert-butyl-4-((2-((3,5-di-tert-butyl-4-hydroxyphenyl)thio)propan-2-yl)thio)phenoxy)-4-oxobutanoic acid, 4-(4-((1-((3,5-bis(1,1-Dimethylethyl)-4-hydroxyphenyl)sulfanyl)-1-methylethyl)sulfanyl)-2,6-bis(1,1-dimethylethyl)phenoxy)-4-oxobutanoic acid, 4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-4-oxobutanoic acid, Butanedioic Acid 1-[4-[[1-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenyl] Ester, Butanedioic acid, mono(4-((1-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)-1-methylethyl)thio)-2,6-bis(1,1-dimethylethyl)phenyl) ester, Succinic acid mono-{2,6-di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-ethylsulfanyl]-phenyl} ester, D0X1VJ, AR-1F9642, CID216325, 4-[4-[2- sulfanylpropan-2-ylsulfanyl]-2,6-ditert-butyl-phenoxy]-4-oxo-butanoicacid, 2473-16-7, Succinic acid 2,6-di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxyphenylsulfanyl)-1-methylethylsulfanyl]phenyl monoester,

Complexity	870
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	616.326g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	616.916g/mol
Monoisotopic Mass	616.326g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	134A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number