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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H11ClN2O
Molecular Weight 198.649
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEBANICLINE

SMILES

ClC1=NC=C(OC[C@H]2CCN2)C=C1

InChI

InChIKey=MKTAGSRKQIGEBH-SSDOTTSWSA-N
InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H11ClN2O
Molecular Weight 198.649
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:17:38 UTC 2023
Edited
by admin
on Sat Dec 16 16:17:38 UTC 2023
Record UNII
9KX8NKV538
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEBANICLINE
INN   MI  
INN  
Official Name English
ABT-165594
Code English
ABT-594
Code English
tebanicline [INN]
Common Name English
TEBANICLINE [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C73579
Created by admin on Sat Dec 16 16:17:39 UTC 2023 , Edited by admin on Sat Dec 16 16:17:39 UTC 2023
Code System Code Type Description
MERCK INDEX
m10497
Created by admin on Sat Dec 16 16:17:39 UTC 2023 , Edited by admin on Sat Dec 16 16:17:39 UTC 2023
PRIMARY Merck Index
INN
8143
Created by admin on Sat Dec 16 16:17:39 UTC 2023 , Edited by admin on Sat Dec 16 16:17:39 UTC 2023
PRIMARY
NCI_THESAURUS
C77852
Created by admin on Sat Dec 16 16:17:39 UTC 2023 , Edited by admin on Sat Dec 16 16:17:39 UTC 2023
PRIMARY
FDA UNII
9KX8NKV538
Created by admin on Sat Dec 16 16:17:39 UTC 2023 , Edited by admin on Sat Dec 16 16:17:39 UTC 2023
PRIMARY
SMS_ID
100000172008
Created by admin on Sat Dec 16 16:17:39 UTC 2023 , Edited by admin on Sat Dec 16 16:17:39 UTC 2023
PRIMARY
WIKIPEDIA
Tebanicline
Created by admin on Sat Dec 16 16:17:39 UTC 2023 , Edited by admin on Sat Dec 16 16:17:39 UTC 2023
PRIMARY
ChEMBL
CHEMBL430497
Created by admin on Sat Dec 16 16:17:39 UTC 2023 , Edited by admin on Sat Dec 16 16:17:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID90173555
Created by admin on Sat Dec 16 16:17:39 UTC 2023 , Edited by admin on Sat Dec 16 16:17:39 UTC 2023
PRIMARY
CAS
198283-73-7
Created by admin on Sat Dec 16 16:17:39 UTC 2023 , Edited by admin on Sat Dec 16 16:17:39 UTC 2023
PRIMARY
PUBCHEM
3075702
Created by admin on Sat Dec 16 16:17:39 UTC 2023 , Edited by admin on Sat Dec 16 16:17:39 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY