BRADANICLINE TOSYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H23N3O2.C7H8O3S
Molecular Weight	533.639
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.O=C(N[C@@H]2C3CCN(CC3)[C@H]2CC4=CN=CC=C4)C5=CC6=CC=CC=C6O5

InChI

InChIKey=YDJXUVIIXSFVOJ-OZYANKIXSA-N

InChI=1S/C22H23N3O2.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26);2-5H,1H3,(H,8,9,10)/t18-,21+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:50:57 UTC 2023` Edited by `admin` on `Fri Dec 15 19:50:57 UTC 2023`
Record UNII	3821HT7KCR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRADANICLINE TOSYLATE

Common Name

English

TC-5619 TOSYLATE

Common Name

English

TC 5619 TOSYLATE

Code

English

2-BENZOFURANCARBOXAMIDE, N-((2S,3R)-2-(3-PYRIDINYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)-, 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

DRUG BANK

DBSALT001881