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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19NO5S
Molecular Weight 301.359
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOIC ACID, 4-(((3-HYDROXYPROPYL)PROPYLAMINO)SULFONYL)-

SMILES

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

InChI

InChIKey=QTBVEQLTAKZGJJ-UHFFFAOYSA-N
InChI=1S/C13H19NO5S/c1-2-8-14(9-3-10-15)20(18,19)12-6-4-11(5-7-12)13(16)17/h4-7,15H,2-3,8-10H2,1H3,(H,16,17)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
BENZOIC ACID, 4-(((3-HYDROXYPROPYL)PROPYLAMINO)SULFONYL)-
Systematic Name English
4-(((3-HYDROXYPROPYL)PROPYLAMINO)SULFONYL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30780348
Created by admin on Sat Dec 16 13:45:18 GMT 2023 , Edited by admin on Sat Dec 16 13:45:18 GMT 2023
PRIMARY
CAS
28242-03-7
Created by admin on Sat Dec 16 13:45:18 GMT 2023 , Edited by admin on Sat Dec 16 13:45:18 GMT 2023
PRIMARY
FDA UNII
KH6A8BM4VL
Created by admin on Sat Dec 16 13:45:18 GMT 2023 , Edited by admin on Sat Dec 16 13:45:18 GMT 2023
PRIMARY
PUBCHEM
71356201
Created by admin on Sat Dec 16 13:45:18 GMT 2023 , Edited by admin on Sat Dec 16 13:45:18 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of PROBENECID
NIH
NCATS
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