SULFO-SMCC SODIUM

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 Search

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C16H17N2O9S
Molecular Weight	413.379
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:44:20 GMT 2023` Edited by `admin` on `Sat Dec 16 15:44:20 GMT 2023`
Record UNII	HH32D7TN36
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SULFO-SMCC SODIUM

Common Name

English

SULFO-N-SUCCINIMIDYL 4-(MALEIMIDOMETHYL)CYCLOHEXANE-1-CARBOXYLATE SODIUM SALT

Systematic Name

English

3-PYRROLIDINESULFONIC ACID, 1-(((4-((2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)METHYL)CYCLOHEXYL)CARBONYL)OXY)-2,5-DIOXO-, 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 Sat Dec 16 15:44:20 GMT 2023 , Edited by admin on Sat Dec 16 15:44:20 GMT 2023

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PUBCHEM

4618794

Created by admin on Sat Dec 16 15:44:20 GMT 2023 , Edited by admin on Sat Dec 16 15:44:20 GMT 2023

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FDA UNII

HH32D7TN36

Created by admin on Sat Dec 16 15:44:20 GMT 2023 , Edited by admin on Sat Dec 16 15:44:20 GMT 2023

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CAS

92921-24-9

Created by admin on Sat Dec 16 15:44:20 GMT 2023 , Edited by admin on Sat Dec 16 15:44:20 GMT 2023

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