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Details

Stereochemistry RACEMIC
Molecular Formula C16H17N2O9S.Na
Molecular Weight 436.369
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments CIS/TRANS MIXTURE

SHOW SMILES / InChI
Structure of SULFO-SMCC SODIUM

SMILES

[Na+].[O-]S(=O)(=O)C1CC(=O)N(OC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)C1=O

InChI

InChIKey=VUFNRPJNRFOTGK-UHFFFAOYSA-M
InChI=1S/C16H18N2O9S.Na/c19-12-5-6-13(20)17(12)8-9-1-3-10(4-2-9)16(23)27-18-14(21)7-11(15(18)22)28(24,25)26;/h5-6,9-11H,1-4,7-8H2,(H,24,25,26);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-PYRROLIDINESULFONIC ACID, 1-(((4-((2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)METHYL)CYCLOHEXYL)CARBONYL)OXY)-2,5-DIOXO-, SODIUM SALT
Preferred Name English
SULFO-SMCC SODIUM
Common Name English
SULFO-N-SUCCINIMIDYL 4-(MALEIMIDOMETHYL)CYCLOHEXANE-1-CARBOXYLATE SODIUM SALT
Systematic Name English
CYCLOHEXANECARBOXYLIC ACID, 4-((2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)METHYL)-, 2,5-DIOXO-3-SULFO-1-PYRROLIDINYL ESTER, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80404961
Created by admin on Wed Apr 02 06:40:54 GMT 2025 , Edited by admin on Wed Apr 02 06:40:54 GMT 2025
PRIMARY
PUBCHEM
4618794
Created by admin on Wed Apr 02 06:40:54 GMT 2025 , Edited by admin on Wed Apr 02 06:40:54 GMT 2025
PRIMARY
FDA UNII
HH32D7TN36
Created by admin on Wed Apr 02 06:40:54 GMT 2025 , Edited by admin on Wed Apr 02 06:40:54 GMT 2025
PRIMARY
CAS
92921-24-9
Created by admin on Wed Apr 02 06:40:54 GMT 2025 , Edited by admin on Wed Apr 02 06:40:54 GMT 2025
PRIMARY