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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23N3O2
Molecular Weight 361.4369
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRADANICLINE

SMILES

O=C(N[C@@H]1C2CCN(CC2)[C@H]1CC3=CN=CC=C3)C4=CC5=CC=CC=C5O4

InChI

InChIKey=OXKRFEWMSWPKKV-GHTZIAJQSA-N
InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1

HIDE SMILES / InChI
Molecular Formula C22H23N3O2
Molecular Weight 361.4369
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:43:16 UTC 2023
Edited
by admin
on Fri Dec 15 19:43:16 UTC 2023
Record UNII
UM3821998K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BRADANICLINE
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
TC-5619
Code English
BRADANICLINE [USAN]
Common Name English
ATA-101
Code English
bradanicline [INN]
Common Name English
TC 5619
Code English
Bradanicline [WHO-DD]
Common Name English
2-BENZOFURANCARBOXAMIDE, N-((2S,3R)-2-(3-PYRIDINYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)-
Systematic Name English
N-[(2S,3R)-2-(Pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-1-benzofuran-2-carboxamide
Systematic Name English
Code System Code Type Description
SMS_ID
300000034086
Created by admin on Fri Dec 15 19:43:16 UTC 2023 , Edited by admin on Fri Dec 15 19:43:16 UTC 2023
PRIMARY
NCI_THESAURUS
C169814
Created by admin on Fri Dec 15 19:43:16 UTC 2023 , Edited by admin on Fri Dec 15 19:43:16 UTC 2023
PRIMARY
USAN
ZZ-160
Created by admin on Fri Dec 15 19:43:16 UTC 2023 , Edited by admin on Fri Dec 15 19:43:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL1258006
Created by admin on Fri Dec 15 19:43:16 UTC 2023 , Edited by admin on Fri Dec 15 19:43:16 UTC 2023
PRIMARY
CAS
639489-84-2
Created by admin on Fri Dec 15 19:43:16 UTC 2023 , Edited by admin on Fri Dec 15 19:43:16 UTC 2023
PRIMARY
INN
9893
Created by admin on Fri Dec 15 19:43:16 UTC 2023 , Edited by admin on Fri Dec 15 19:43:16 UTC 2023
PRIMARY
DRUG BANK
DB06090
Created by admin on Fri Dec 15 19:43:16 UTC 2023 , Edited by admin on Fri Dec 15 19:43:16 UTC 2023
PRIMARY
WIKIPEDIA
TC-5619
Created by admin on Fri Dec 15 19:43:16 UTC 2023 , Edited by admin on Fri Dec 15 19:43:16 UTC 2023
PRIMARY
FDA UNII
UM3821998K
Created by admin on Fri Dec 15 19:43:16 UTC 2023 , Edited by admin on Fri Dec 15 19:43:16 UTC 2023
PRIMARY
PUBCHEM
25147644
Created by admin on Fri Dec 15 19:43:16 UTC 2023 , Edited by admin on Fri Dec 15 19:43:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID40213778
Created by admin on Fri Dec 15 19:43:16 UTC 2023 , Edited by admin on Fri Dec 15 19:43:16 UTC 2023
PRIMARY
Related Record Type Details
NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-7
TARGET -> AGONIST
Structure of BRADANICLINE TOSYLATE
SALT/SOLVATE -> PARENT
Structure of BRADANICLINE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of BRADANICLINE
ACTIVE MOIETY
NIH
NCATS
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