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Details

Stereochemistry ACHIRAL
Molecular Formula C12H19NO3S
Molecular Weight 257.349
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-PROPANESULFONIC ACID, 3-(ETHYL(3-METHYLPHENYL)AMINO)-

SMILES

CCN(CCCS(O)(=O)=O)C1=CC=CC(C)=C1

InChI

InChIKey=IBSUMVZKDLDAEK-UHFFFAOYSA-N
InChI=1S/C12H19NO3S/c1-3-13(8-5-9-17(14,15)16)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula C12H19NO3S
Molecular Weight 257.349
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:23:03 GMT 2023
Edited
by admin
on Sat Dec 16 17:23:03 GMT 2023
Record UNII
LUL37W82IY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PROPANESULFONIC ACID, 3-(ETHYL(3-METHYLPHENYL)AMINO)-
Common Name English
N-ETHYL-N-SULFOPROPYL-M-TOLUIDINE
Systematic Name English
N-ETHYL-N-SULFOPROPYL-3-METHYLANILINE
Systematic Name English
N-ETHYL-N-(3-SULFOPROPYL)-3-METHYLANILINE
Systematic Name English
3-(N-ETHYL-M-TOLUIDINO)-1-PROPANESULFONIC ACID
Systematic Name English
3-(ETHYL(3-METHYLPHENYL)AMINO)-1-PROPANESULFONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
169814
Created by admin on Sat Dec 16 17:23:03 GMT 2023 , Edited by admin on Sat Dec 16 17:23:03 GMT 2023
PRIMARY
FDA UNII
LUL37W82IY
Created by admin on Sat Dec 16 17:23:03 GMT 2023 , Edited by admin on Sat Dec 16 17:23:03 GMT 2023
PRIMARY
ECHA (EC/EINECS)
253-210-1
Created by admin on Sat Dec 16 17:23:03 GMT 2023 , Edited by admin on Sat Dec 16 17:23:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID8067999
Created by admin on Sat Dec 16 17:23:03 GMT 2023 , Edited by admin on Sat Dec 16 17:23:03 GMT 2023
PRIMARY
CAS
36783-03-6
Created by admin on Sat Dec 16 17:23:03 GMT 2023 , Edited by admin on Sat Dec 16 17:23:03 GMT 2023
PRIMARY