TAK-779

Details

Stereochemistry	ACHIRAL
Molecular Formula	C33H39N2O2.Cl
Molecular Weight	531.128
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].CC1=CC=C(C=C1)C2=CC=C3CCCC(=CC3=C2)C(=O)NC4=CC=C(C[N+](C)(C)C5CCOCC5)C=C4

InChI

InChIKey=VDALIBWXVQVFGZ-UHFFFAOYSA-N

InChI=1S/C33H38N2O2.ClH/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32;/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula	C33H39N2O2
Molecular Weight	495.675
Charge	1
Count

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

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 `Fri Dec 15 16:07:02 UTC 2023` Edited by `admin` on `Fri Dec 15 16:07:02 UTC 2023`
Record UNII	BQW1Y9KIIP
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TAK-779

Code

English

TAK-799

Code

English

N,N-DIMETHYL-N-(4-(((2-(4-METHYLPHENYL)-6,7-DIHYDRO-5H-BENZOCYCLOHEPTEN-8-YL)CARBONYL)AMINO)BENZYL)TETRAHYDRO-2H-PYRAN-4-AMINIUM CHLORIDE

Systematic Name

English

Code System Code Type Description

CAS

229005-80-5

Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023

PRIMARY

FDA UNII

BQW1Y9KIIP

Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023

PRIMARY

PUBCHEM

183789

Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023

PRIMARY

Related Record Type Details


					RN3X97C29H

TAK-779 CATION

PARENT -> SALT/SOLVATE

Related Record Type Details


					RN3X97C29H

TAK-779 CATION

ACTIVE MOIETY