N-DEMETHYL IVABRADINE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34N2O5.ClH
Molecular Weight	491.019
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-DEMETHYL IVABRADINE HYDROCHLORIDE

Structure Search

SMILES

Cl.COC1=C(OC)C=C2[C@@H](CNCCCN3CCC4=CC(OC)=C(OC)C=C4CC3=O)CC2=C1

InChI

InChIKey=MIIIKWNQFDQJGS-VEIFNGETSA-N

InChI=1S/C26H34N2O5.ClH/c1-30-22-11-17-6-9-28(26(29)14-18(17)12-23(22)31-2)8-5-7-27-16-20-10-19-13-24(32-3)25(33-4)15-21(19)20;/h11-13,15,20,27H,5-10,14,16H2,1-4H3;1H/t20-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C26H34N2O5
Molecular Weight	454.5586
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
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 19:11:14 UTC 2023` Edited by `admin` on `Sat Dec 16 19:11:14 UTC 2023`
Record UNII	A9VZ3925C8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DEMETHYL IVABRADINE HYDROCHLORIDE

Common Name

English

3-(3-((((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)AMINO)PROPYL)-1,3,4,5-TETRAHYDRO-7,8-DIMETHOXY-2H-3-BENZAZEPIN-2-ONE HYDROCHLORIDE (1:1)

Systematic Name

English

2H-3-BENZAZEPIN-2-ONE, 3-(3-((((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)AMINO)PROPYL)-1,3,4,5-TETRAHYDRO-7,8-DIMETHOXY-, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

66672699

Created by admin on Sat Dec 16 19:11:14 UTC 2023 , Edited by admin on Sat Dec 16 19:11:14 UTC 2023

PRIMARY

PUBCHEM

EPA CompTox

DTXSID40735561

Created by admin on Sat Dec 16 19:11:14 UTC 2023 , Edited by admin on Sat Dec 16 19:11:14 UTC 2023

PRIMARY

FDA UNII

A9VZ3925C8

Created by admin on Sat Dec 16 19:11:14 UTC 2023 , Edited by admin on Sat Dec 16 19:11:14 UTC 2023

PRIMARY

CAS

1246638-08-3

Created by admin on Sat Dec 16 19:11:14 UTC 2023 , Edited by admin on Sat Dec 16 19:11:14 UTC 2023

PRIMARY

Related Record Type Details


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N-DEMETHYLIVABRADINE

PARENT -> SALT/SOLVATE

Amount: