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Details

Stereochemistry ACHIRAL
Molecular Formula C17H23F13N2O4S
Molecular Weight 598.42
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Propanaminium, N-(2-carboxyethyl)-N,N-dimethyl-3-[methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino]-, inner salt

SMILES

CN(CCC[N+](C)(C)CCC([O-])=O)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI

InChIKey=TUOHUMKQNSQWKE-UHFFFAOYSA-N
InChI=1S/C17H23F13N2O4S/c1-31(7-4-8-32(2,3)9-5-11(33)34)37(35,36)10-6-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h4-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C17H23F13N2O4S
Molecular Weight 598.42
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:17:57 GMT 2025
Edited
by admin
on Tue Apr 01 19:17:57 GMT 2025
Record UNII
ARK8V5828B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Propanaminium, N-(2-carboxyethyl)-N,N-dimethyl-3-[methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino]-, inner salt
Preferred Name English
Code System Code Type Description
FDA UNII
ARK8V5828B
Created by admin on Tue Apr 01 19:17:57 GMT 2025 , Edited by admin on Tue Apr 01 19:17:57 GMT 2025
PRIMARY
ECHA (EC/EINECS)
266-063-3
Created by admin on Tue Apr 01 19:17:57 GMT 2025 , Edited by admin on Tue Apr 01 19:17:57 GMT 2025
PRIMARY
PUBCHEM
3034769
Created by admin on Tue Apr 01 19:17:57 GMT 2025 , Edited by admin on Tue Apr 01 19:17:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID4070378
Created by admin on Tue Apr 01 19:17:57 GMT 2025 , Edited by admin on Tue Apr 01 19:17:57 GMT 2025
PRIMARY
CAS
66008-72-8
Created by admin on Tue Apr 01 19:17:57 GMT 2025 , Edited by admin on Tue Apr 01 19:17:57 GMT 2025
PRIMARY