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Details

Stereochemistry MIXED
Molecular Formula C16H35NO6S
Molecular Weight 369.517
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((2-ETHYLHEXYL)OXY)-2-HYDROXY-N-(2-HYDROXY-3-SULFOPROPYL)-N,N-DIMETHYL-1-PROPANAMINIUM

SMILES

CCCCC(CC)COCC(O)C[N+](C)(C)CC(O)CS([O-])(=O)=O

InChI

InChIKey=FAWBMRXIDCEGBG-UHFFFAOYSA-N
InChI=1S/C16H35NO6S/c1-5-7-8-14(6-2)11-23-12-15(18)9-17(3,4)10-16(19)13-24(20,21)22/h14-16,18-19H,5-13H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C16H35NO6S
Molecular Weight 369.517
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:16:13 GMT 2023
Edited
by admin
on Sat Dec 16 10:16:13 GMT 2023
Record UNII
461179NDF7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((2-ETHYLHEXYL)OXY)-2-HYDROXY-N-(2-HYDROXY-3-SULFOPROPYL)-N,N-DIMETHYL-1-PROPANAMINIUM
Systematic Name English
1-PROPANAMINIUM, 3-((2-ETHYLHEXYL)OXY)-2-HYDROXY-N-(2-HYDROXY-3-SULFOPROPYL)-N,N-DIMETHYL-, HYDROXIDE, INNER SALT
Systematic Name English
1-PROPANAMINIUM, 3-((2-ETHYLHEXYL)OXY)-2-HYDROXY-N-(2-HYDROXY-3-SULFOPROPYL)-N,N-DIMETHYL-, INNER SALT
Common Name English
Code System Code Type Description
FDA UNII
461179NDF7
Created by admin on Sat Dec 16 10:16:13 GMT 2023 , Edited by admin on Sat Dec 16 10:16:13 GMT 2023
PRIMARY
PUBCHEM
86288
Created by admin on Sat Dec 16 10:16:13 GMT 2023 , Edited by admin on Sat Dec 16 10:16:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID9041281
Created by admin on Sat Dec 16 10:16:13 GMT 2023 , Edited by admin on Sat Dec 16 10:16:13 GMT 2023
PRIMARY
CAS
108797-85-9
Created by admin on Sat Dec 16 10:16:13 GMT 2023 , Edited by admin on Sat Dec 16 10:16:13 GMT 2023
PRIMARY