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Details

Stereochemistry ACHIRAL
Molecular Formula C17H26N2O3S.ClH
Molecular Weight 374.926
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[2-(dibutylamino)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one,hydrochloride

SMILES

Cl.CCCCN(CCCC)CCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChIKey=CUHQOHPBQCQAJF-UHFFFAOYSA-N
InChI=1S/C17H26N2O3S.ClH/c1-3-5-11-18(12-6-4-2)13-14-19-17(20)15-9-7-8-10-16(15)23(19,21)22;/h7-10H,3-6,11-14H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H26N2O3S
Molecular Weight 338.465
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 Sat Dec 16 12:49:07 GMT 2023
Edited
by admin
on Sat Dec 16 12:49:07 GMT 2023
Record UNII
4SV52BCD53
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[2-(dibutylamino)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one,hydrochloride
Systematic Name English
1,2-Benzisothiazol-3(2H)-one, 2-[2-(dibutylamino)ethyl]-, 1,1-dioxide, monohydrochloride
Systematic Name English
1,2-Benzisothiazol-3(2H)-one, 2-[2-(dibutylamino)ethyl]-, 1,1-dioxide, hydrochloride (1:1)
Systematic Name English
1,2-BENZISOTHIAZOL-3(2H)-ONE, 2-(2-(DIBUTYLAMINO)ETHYL)-, 1,1-DIOXIDE, HYDROCHLORIDE
Systematic Name English
NSC-372524
Code English
Code System Code Type Description
NSC
372524
Created by admin on Sat Dec 16 12:49:07 GMT 2023 , Edited by admin on Sat Dec 16 12:49:07 GMT 2023
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EPA CompTox
DTXSID60223990
Created by admin on Sat Dec 16 12:49:07 GMT 2023 , Edited by admin on Sat Dec 16 12:49:07 GMT 2023
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PUBCHEM
3056337
Created by admin on Sat Dec 16 12:49:07 GMT 2023 , Edited by admin on Sat Dec 16 12:49:07 GMT 2023
PRIMARY
FDA UNII
4SV52BCD53
Created by admin on Sat Dec 16 12:49:07 GMT 2023 , Edited by admin on Sat Dec 16 12:49:07 GMT 2023
PRIMARY
CAS
73698-50-7
Created by admin on Sat Dec 16 12:49:07 GMT 2023 , Edited by admin on Sat Dec 16 12:49:07 GMT 2023
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