BRADANICLINE HYDROCHLORIDE

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 Search

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

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:46:38 UTC 2023` Edited by `admin` on `Sat Dec 16 09:46:38 UTC 2023`
Record UNII	D266D7TY9B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRADANICLINE HYDROCHLORIDE

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