DEHYDROIVABRADINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H34N2O5
Molecular Weight	466.5693
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OC)C=C2[C@@H](CN(C)CCCN3C=CC4=CC(OC)=C(OC)C=C4CC3=O)CC2=C1

InChI

InChIKey=AQSRHFYHXNSUAO-OAQYLSRUSA-N

InChI=1S/C27H34N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h7,10,12-14,16,21H,6,8-9,11,15,17H2,1-5H3/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H34N2O5
Molecular Weight	466.5693
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:54:57 GMT 2023` Edited by `admin` on `Sat Dec 16 18:54:57 GMT 2023`
Record UNII	TN7CPA7CZG
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DEHYDROIVABRADINE

Common Name

English

2H-3-BENZAZEPIN-2-ONE, 3-(3-((((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)METHYLAMINO)PROPYL)-1,3-DIHYDRO-7,8-DIMETHOXY-

Systematic Name

English

(S)-3-(3-(((3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)(METHYL)AMINO)PROPYL)-7,8-DIMETHOXY-1H-BENZO(D)AZEPIN-2(3H)-ONE

Systematic Name

English

3-(3-(((7S)-3,4-DIMETHOXY-7-BICYCLO(4.2.0)OCTA-1,3,5-TRIENYL)METHYL-METHYLAMINO)PROPYL)-7,8-DIMETHOXY-1H-3-BENZAZEPIN-2-ONE

Systematic Name

English

Code System Code Type Description

CAS

1086026-31-4

Created by admin on Sat Dec 16 18:54:57 GMT 2023 , Edited by admin on Sat Dec 16 18:54:57 GMT 2023

PRIMARY

PUBCHEM

16114796

Created by admin on Sat Dec 16 18:54:57 GMT 2023 , Edited by admin on Sat Dec 16 18:54:57 GMT 2023

PRIMARY

PUBCHEM

FDA UNII

TN7CPA7CZG

Created by admin on Sat Dec 16 18:54:57 GMT 2023 , Edited by admin on Sat Dec 16 18:54:57 GMT 2023

PRIMARY

EPA CompTox

DTXSID90583019

Created by admin on Sat Dec 16 18:54:57 GMT 2023 , Edited by admin on Sat Dec 16 18:54:57 GMT 2023

PRIMARY

Related Record Type Details


					TP19837BZK

IVABRADINE HYDROCHLORIDE

PARENT -> IMPURITY

Amount: