AG00522Z

82436-77-9 | Octanedioic acid,1,8-bis(2,5-dioxo-3-sulfo-1-pyrrolidinyl) ester

AG00522Z

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CAS Number	82436-77-9
Catalog Number	AG00522Z(AGN-PC-0UM48N)
Chemical Name	Octanedioic acid,1,8-bis(2,5-dioxo-3-sulfo-1-pyrrolidinyl) ester
EC Number	617-333-8
IUPAC Name	1-[8-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-8-oxooctanoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid
InChI	InChI=1S/C16H20N2O14S2/c19-11-7-9(33(25,26)27)15(23)17(11)31-13(21)5-3-1-2-4-6-14(22)32-18-12(20)8-10(16(18)24)34(28,29)30/h9-10H,1-8H2,(H,25,26,27)(H,28,29,30)
InChI Key	VYLDEYYOISNGST-UHFFFAOYSA-N
MDL Number	MFCD00054982
Molecular Formula	C16H20N2O14S2
Molecular Weight	528.4650
SMILES	O=C(ON1C(C(S(=O)(O)=O)CC1=O)=O)CCCCCCC(ON2C(C(S(=O)(O)=O)CC2=O)=O)=O
Synonyms	bis succinylsuberate BS(3), bis(sulfosuccinimidyl)suberate, BS(3) cpd, BSSIS, disulfosuccinimidyl suberate, octanedioic acid, 1,8-bis(2,5-dioxo-3-sulfo-1-pyrrolidinyl) ester, 82436-77-9, bis(sulfosuccinimidyl)suberate, bis(sulphosuccinimidyl)suberate, Disulfosuccinimidyl suberate, bis(sulfosuccinimidyl) suberate, BSSIS, Octanedioic acid,1,8-bis(2,5-dioxo-3-sulfo-1-pyrrolidinyl) ester, BS3, 1,1'-(Octanedioylbis(oxy))bis(2,5-dioxopyrrolidine-3-sulfonic acid), BS(3) Cpd, Bis succinylsuberate BS(3), 1-[8-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-8-oxooctanoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid, Bis(sulfosuccinimidyl) Suberate, Sodium Salt, bsss, Suberic acid bis(3-sulfo-N-hydroxysuccinimide ester) sodium salt, AC1L3XF4, AC1Q6LL5, Bissulfosuccinimidyl suberate, 1,1'-[(1,8-dioxo-1,8-octanediyl)bis(oxy)]bis(2,5-dioxo-3-pyrrolidinesulfonic acid), SCHEMBL43693, BICL101, CTK5E9671, VYLDEYYOISNGST-UHFFFAOYSA-N, ZX-AFC000039, bis-sulfo-succinimidyl suberate bs3, MFCD01861948, AKOS015915978, CB-1078, AN-36188, FT-0623095, I14-52257, suberic acid bis(3-sulfo-n-hydroxysuccinimide ester)sodium salt, 1,1-(Octanedioylbis(oxy))bis(2,5-dioxopyrrolidine-3-sulfonic acid), octanedioic acid bis-(2,5-dioxo-3-sulfo-pyrrolidin-1-yl) ester sodium salt, 3-Pyrrolidinesulfonic acid, 1,1'-((1,8-dioxo-1,8-octanediyl)bis(oxy))bis(2,5-dioxo-, 1-[8-(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)oxy-8-oxo-octanoyl]oxy-2,5-dioxo-pyrrolidine-3-sulfonic acid, UNII-E647932J7Z, KST-1B8970, C16H20N2O14S2, BS3;bis-sulfo-succinimidyl suberate, AR-1B4131, CID123854, Bis(sulfosuccinimidyl) suberate sodium salt, E647932J7Z, C16-H20-N2-O14-S2, bis(sulfosuccinimidyl)suberate sodium salt, Suberate Bis(sulfosuccinimidyl) Sodium Salt, C035760, 87067-99-0, octanedioic acid, 1,8-bis(2,5-dioxo-3-sulfo-1-pyrrolidinyl) ester, 3-Pyrrolidinesulfonic acid, 1,1'-((1,8-dioxo-1,8-octanediyl)bis(oxy))bis(2,5-dioxo), Suberic acid bis(3-sulfo-N-hydroxysuccinimide ester) sodium salt, 90% - 100MG 100mg, Acetamide, N-(8a-acetyl-8-(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6,7-dihydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6beta,7beta,8alpha,8aalpha)-,

Complexity	1010
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	528.036g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	528.456g/mol
Monoisotopic Mass	528.036g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	253A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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