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Details

Stereochemistry ACHIRAL
Molecular Formula C13H21NO2S
Molecular Weight 255.376
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DITOLAMIDE

SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C)C=C1

InChI

InChIKey=AUUADVNHIYKUBA-UHFFFAOYSA-N
InChI=1S/C13H21NO2S/c1-4-10-14(11-5-2)17(15,16)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H21NO2S
Molecular Weight 255.376
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:25:54 GMT 2025
Edited
by admin
on Mon Mar 31 18:25:54 GMT 2025
Record UNII
AL8499KM94
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-17624
Preferred Name English
DITOLAMIDE
INN  
INN  
Official Name English
PROBENECID IMPURITY B [EP IMPURITY]
Common Name English
NSC-406152
Code English
4-METHYL-N,N-DIPROPYLBENZENESULFONAMIDE
Systematic Name English
ditolamide [INN]
Common Name English
N,N-DIPROPYL-P-TOLUENESULFONAMIDE
Common Name English
P-TOLUENESULFONAMIDE, N,N-DIPROPYL-
Systematic Name English
BENZENESULFONAMIDE, 4-METHYL-N,N-DIPROPYL-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29739
Created by admin on Mon Mar 31 18:25:54 GMT 2025 , Edited by admin on Mon Mar 31 18:25:54 GMT 2025
Code System Code Type Description
ChEMBL
CHEMBL1334857
Created by admin on Mon Mar 31 18:25:54 GMT 2025 , Edited by admin on Mon Mar 31 18:25:54 GMT 2025
PRIMARY
NSC
406152
Created by admin on Mon Mar 31 18:25:54 GMT 2025 , Edited by admin on Mon Mar 31 18:25:54 GMT 2025
PRIMARY
PUBCHEM
208847
Created by admin on Mon Mar 31 18:25:54 GMT 2025 , Edited by admin on Mon Mar 31 18:25:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID20862389
Created by admin on Mon Mar 31 18:25:54 GMT 2025 , Edited by admin on Mon Mar 31 18:25:54 GMT 2025
PRIMARY
NCI_THESAURUS
C65444
Created by admin on Mon Mar 31 18:25:54 GMT 2025 , Edited by admin on Mon Mar 31 18:25:54 GMT 2025
PRIMARY
CAS
723-42-2
Created by admin on Mon Mar 31 18:25:54 GMT 2025 , Edited by admin on Mon Mar 31 18:25:54 GMT 2025
PRIMARY
INN
1812
Created by admin on Mon Mar 31 18:25:54 GMT 2025 , Edited by admin on Mon Mar 31 18:25:54 GMT 2025
PRIMARY
SMS_ID
100000081840
Created by admin on Mon Mar 31 18:25:54 GMT 2025 , Edited by admin on Mon Mar 31 18:25:54 GMT 2025
PRIMARY
FDA UNII
AL8499KM94
Created by admin on Mon Mar 31 18:25:54 GMT 2025 , Edited by admin on Mon Mar 31 18:25:54 GMT 2025
PRIMARY
EVMPD
SUB06335MIG
Created by admin on Mon Mar 31 18:25:54 GMT 2025 , Edited by admin on Mon Mar 31 18:25:54 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
ACTIVE MOIETY