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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23N3O2.ClH
Molecular Weight 397.898
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRADANICLINE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=ISPRRZDPZDVHLE-OZYANKIXSA-N
InChI=1S/C22H23N3O2.ClH/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);1H/t18-,21+;/m0./s1

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
BRADANICLINE HYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
Bradanicline hydrochloride [WHO-DD]
Common Name English
BRADANICLINE HYDROCHLORIDE [USAN]
Common Name English
N-[(2S,3R)-2-(Pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-1-benzofuran-2-carboxamide monohydrochloride
Systematic Name English
2-BENZOFURANCARBOXAMIDE, N-((2S,3R)-2-(3-PYRIDINYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)-, HYDROCHLORIDE (1:1)
Systematic Name English
TC-5619-023
Code English
Classification Tree Code System Code
NCI_THESAURUS C73579
Created by admin on Sat Dec 16 09:46:38 UTC 2023 , Edited by admin on Sat Dec 16 09:46:38 UTC 2023
Code System Code Type Description
FDA UNII
D266D7TY9B
Created by admin on Sat Dec 16 09:46:38 UTC 2023 , Edited by admin on Sat Dec 16 09:46:38 UTC 2023
PRIMARY
USAN
ZZ-161
Created by admin on Sat Dec 16 09:46:38 UTC 2023 , Edited by admin on Sat Dec 16 09:46:38 UTC 2023
PRIMARY
PUBCHEM
66669778
Created by admin on Sat Dec 16 09:46:38 UTC 2023 , Edited by admin on Sat Dec 16 09:46:38 UTC 2023
PRIMARY
DRUG BANK
DBSALT001880
Created by admin on Sat Dec 16 09:46:38 UTC 2023 , Edited by admin on Sat Dec 16 09:46:38 UTC 2023
PRIMARY
SMS_ID
300000044463
Created by admin on Sat Dec 16 09:46:38 UTC 2023 , Edited by admin on Sat Dec 16 09:46:38 UTC 2023
PRIMARY
CAS
1111941-90-2
Created by admin on Sat Dec 16 09:46:38 UTC 2023 , Edited by admin on Sat Dec 16 09:46:38 UTC 2023
PRIMARY
NCI_THESAURUS
C142965
Created by admin on Sat Dec 16 09:46:38 UTC 2023 , Edited by admin on Sat Dec 16 09:46:38 UTC 2023
PRIMARY
ChEMBL
CHEMBL1258006
Created by admin on Sat Dec 16 09:46:38 UTC 2023 , Edited by admin on Sat Dec 16 09:46:38 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of BRADANICLINE
NIH
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