IVABRADINE, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C27H36N2O5
Molecular Weight	468.5851
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C=C1OC)C(CN(C)CCCN3CCC4=CC(OC)=C(OC)C=C4CC3=O)C2

InChI

InChIKey=ACRHBAYQBXXRTO-UHFFFAOYSA-N

InChI=1S/C27H36N2O5/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/h12-14,16,21H,6-11,15,17H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C27H36N2O5
Molecular Weight	468.5851
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:57:34 GMT 2025` Edited by `admin` on `Mon Mar 31 22:57:34 GMT 2025`
Record UNII	C8ADC441ME
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

S-15544

Preferred Name

English

IVABRADINE, (±)-

Common Name

English

IVABRADINE (±)-FORM [MI]

Common Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40861394