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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8O3S.C5H12N2OS
Molecular Weight 320.428
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WR-2529

SMILES

NC(=O)CCNCCS.CC1=CC=C(C=C1)S(O)(=O)=O

InChI

InChIKey=VKWZCEGDRJOLKT-UHFFFAOYSA-N
InChI=1S/C7H8O3S.C5H12N2OS/c1-6-2-4-7(5-3-6)11(8,9)10;6-5(8)1-2-7-3-4-9/h2-5H,1H3,(H,8,9,10);7,9H,1-4H2,(H2,6,8)

HIDE SMILES / InChI

Molecular Formula C7H8O3S
Molecular Weight 172.202
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H12N2OS
Molecular Weight 148.227
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:52:02 GMT 2025
Edited
by admin
on Mon Mar 31 17:52:02 GMT 2025
Record UNII
WBX2Y30M92
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPANAMIDE, 3-((2-MERCAPTOETHYL)AMINO)-, MONO(4-METHYLBENZENESULFONATE) (SALT)
Preferred Name English
WR-2529
Code English
PROPANAMIDE, 3-((2-MERCAPTOETHYL)AMINO)-, 4-METHYLBENZENESULFONATE (1:1)
Systematic Name English
PROPIONAMIDE, 3-((2-MERCAPTOETHYL)AMINO)-, MONO-P-TOLUENESULFONATE (SALT)
Common Name English
NSC-124606
Code English
Code System Code Type Description
CAS
1030-84-8
Created by admin on Mon Mar 31 17:52:02 GMT 2025 , Edited by admin on Mon Mar 31 17:52:02 GMT 2025
PRIMARY
PUBCHEM
13938
Created by admin on Mon Mar 31 17:52:02 GMT 2025 , Edited by admin on Mon Mar 31 17:52:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID00908153
Created by admin on Mon Mar 31 17:52:02 GMT 2025 , Edited by admin on Mon Mar 31 17:52:02 GMT 2025
PRIMARY
FDA UNII
WBX2Y30M92
Created by admin on Mon Mar 31 17:52:02 GMT 2025 , Edited by admin on Mon Mar 31 17:52:02 GMT 2025
PRIMARY
NSC
124606
Created by admin on Mon Mar 31 17:52:02 GMT 2025 , Edited by admin on Mon Mar 31 17:52:02 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE