U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C25H43NO8S.2Na
Molecular Weight 563.655
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM 1-(OLEAMIDO MIPA)-SULFOSUCCINATE

SMILES

[Na+].[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)NCC(C)OC(=O)C(CC([O-])=O)S([O-])(=O)=O

InChI

InChIKey=KUZLAYSZNFYDFT-PQBRBDCOSA-L
InChI=1S/C25H45NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-25(30)22(19-24(28)29)35(31,32)33;;/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,28,29)(H,31,32,33);;/q;2*+1/p-2/b11-10-;;

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 C25H43NO8S
Molecular Weight 517.676
Charge -2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:29:26 GMT 2023
Edited
by admin
on Fri Dec 15 18:29:26 GMT 2023
Record UNII
8684R12RZA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISODIUM 1-(OLEAMIDO MIPA)-SULFOSUCCINATE
Common Name English
BUTANEDIOIC ACID, 2-SULFO-, 1-(1-METHYL-2-((1-OXO-9-OCTADECEN-1-YL)AMINO)ETHYL) ESTER, SODIUM SALT (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
8684R12RZA
Created by admin on Fri Dec 15 18:29:26 GMT 2023 , Edited by admin on Fri Dec 15 18:29:26 GMT 2023
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EPA CompTox
DTXSID0041694
Created by admin on Fri Dec 15 18:29:26 GMT 2023 , Edited by admin on Fri Dec 15 18:29:26 GMT 2023
PRIMARY
CAS
43154-85-4
Created by admin on Fri Dec 15 18:29:26 GMT 2023 , Edited by admin on Fri Dec 15 18:29:26 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
ECHA (EC/EINECS)
256-120-0
Created by admin on Fri Dec 15 18:29:26 GMT 2023 , Edited by admin on Fri Dec 15 18:29:26 GMT 2023
PRIMARY
PUBCHEM
118984413
Created by admin on Fri Dec 15 18:29:26 GMT 2023 , Edited by admin on Fri Dec 15 18:29:26 GMT 2023
PRIMARY
SMS_ID
100000158917
Created by admin on Fri Dec 15 18:29:26 GMT 2023 , Edited by admin on Fri Dec 15 18:29:26 GMT 2023
PRIMARY