U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H24O3S
Molecular Weight 320.446
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIBUNATE

SMILES

CC(C)(C)C1=CC2=C(C=C1)C(=C(C=C2)C(C)(C)C)S(O)(=O)=O

InChI

InChIKey=WBEBQCINXJDZCX-UHFFFAOYSA-N
InChI=1S/C18H24O3S/c1-17(2,3)13-8-9-14-12(11-13)7-10-15(18(4,5)6)16(14)22(19,20)21/h7-11H,1-6H3,(H,19,20,21)

HIDE SMILES / InChI

Molecular Formula C18H24O3S
Molecular Weight 320.446
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 17:09:56 UTC 2023
Edited
by admin
on Sat Dec 16 17:09:56 UTC 2023
Record UNII
ZXY319VL5S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIBUNATE
INN  
INN  
Official Name English
1-NAPHTHALENESULFONIC ACID, 2,6-BIS(1,1-DIMETHYLETHYL)-
Common Name English
1-NAPHTHALENESULFONIC ACID, 2,6-DI-TERT-BUTYL-
Common Name English
DIBUNIC ACID
Common Name English
dibunate [INN]
Common Name English
Classification Tree Code System Code
WHO-ATC R05DB16
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
WHO-VATC QR05DB16
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
Code System Code Type Description
FDA UNII
ZXY319VL5S
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
PRIMARY
INN
5285
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
PRIMARY
DRUG BANK
DB13796
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
PRIMARY
NCI_THESAURUS
C171743
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
PRIMARY
CAS
14992-58-6
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
PRIMARY
CHEBI
145567
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
PRIMARY
DRUG CENTRAL
860
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
PRIMARY
ECHA (EC/EINECS)
239-078-8
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
PRIMARY
PUBCHEM
84746
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
PRIMARY
RXCUI
402565
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
PRIMARY RxNorm
WIKIPEDIA
DIBUNATE
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID7048245
Created by admin on Sat Dec 16 17:09:56 UTC 2023 , Edited by admin on Sat Dec 16 17:09:56 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY