8-DEMETHYL IVABRADINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34N2O5
Molecular Weight	454.5586
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C=C2CC(=O)N(CCCN(C)C[C@H]3CC4=CC(OC)=C(OC)C=C34)CCC2=C1

InChI

InChIKey=BMPIAMMIUINAOW-HXUWFJFHSA-N

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:28:23 GMT 2023` Edited by `admin` on `Sat Dec 16 18:28:23 GMT 2023`
Record UNII	2R563KE5HR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8-DEMETHYL IVABRADINE

Common Name

English

IVABRADINE HYDROCHLORIDE IMPURITY VI

Common Name

English

8-O-DESMETHYL IVABRADINE

Common Name

English

S-33174

Code

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)-1,3,4,5-TETRAHYDRO-8-HYDROXY-7-METHOXY-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

71315777

Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023

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PUBCHEM

CAS

304464-97-9

Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023

PRIMARY

FDA UNII

2R563KE5HR

Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023

PRIMARY

EPA CompTox

DTXSID80747567

Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023

PRIMARY

Related Record Type Details


					TP19837BZK

IVABRADINE HYDROCHLORIDE

PARENT -> IMPURITY

Amount: