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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H8N2O2.ClH
Molecular Weight 176.601
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GABOXADOL HYDROCHLORIDE

SMILES

Cl.OC1=NOC2=C1CCNC2

InChI

InChIKey=ZDZDSZQYRBZPNN-UHFFFAOYSA-N
InChI=1S/C6H8N2O2.ClH/c9-6-4-1-2-7-3-5(4)10-8-6;/h7H,1-3H2,(H,8,9);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 C6H8N2O2
Molecular Weight 140.1399
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:29:05 UTC 2023
Edited
by admin
on Fri Dec 15 16:29:05 UTC 2023
Record UNII
478RVH3TVD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GABOXADOL HYDROCHLORIDE
MI  
Common Name English
ISOXAZOLO(5,4-C)PYRIDIN-3(2H)-ONE, 4,5,6,7-TETRAHYDRO-, MONOHYDROCHLORIDE
Common Name English
ISOXAZOLO(5,4-C)PYRIDIN-3(2H)-ONE, 4,5,6,7-TETRAHYDRO-, HYDROCHLORIDE (1:1)
Systematic Name English
GABOXADOL HYDROCHLORIDE [MI]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
285-687-7
Created by admin on Fri Dec 15 16:29:05 UTC 2023 , Edited by admin on Fri Dec 15 16:29:05 UTC 2023
PRIMARY
PUBCHEM
5702253
Created by admin on Fri Dec 15 16:29:05 UTC 2023 , Edited by admin on Fri Dec 15 16:29:05 UTC 2023
PRIMARY
CAS
85118-33-8
Created by admin on Fri Dec 15 16:29:05 UTC 2023 , Edited by admin on Fri Dec 15 16:29:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID90234251
Created by admin on Fri Dec 15 16:29:05 UTC 2023 , Edited by admin on Fri Dec 15 16:29:05 UTC 2023
PRIMARY
FDA UNII
478RVH3TVD
Created by admin on Fri Dec 15 16:29:05 UTC 2023 , Edited by admin on Fri Dec 15 16:29:05 UTC 2023
PRIMARY
MERCK INDEX
m5621
Created by admin on Fri Dec 15 16:29:05 UTC 2023 , Edited by admin on Fri Dec 15 16:29:05 UTC 2023
PRIMARY Merck Index
Related Record Type Details
Structure of GABOXADOL
PARENT -> SALT/SOLVATE
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966