IVABRADINE ADIPATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H36N2O5.C6H8O4
Molecular Weight	612.7105
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	-2

SHOW SMILES / InChI

Structure Search

SMILES

[O-]C(=O)CCCCC([O-])=O.COC1=C(OC)C=C2[C@@H](CN(C)CCCN3CCC4=CC(OC)=C(OC)C=C4CC3=O)CC2=C1

InChI

InChIKey=KRMQAGLWFPGSQN-ZMBIFBSDSA-L

InChI=1S/C27H36N2O5.C6H10O4/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;7-5(8)3-1-2-4-6(9)10/h12-14,16,21H,6-11,15,17H2,1-5H3;1-4H2,(H,7,8)(H,9,10)/p-2/t21-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C27H36N2O5
Molecular Weight	468.5851
Charge	0
Count

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

Molecular Formula	C6H8O4
Molecular Weight	144.1253
Charge	-2
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 19:10:49 UTC 2023` Edited by `admin` on `Sat Dec 16 19:10:49 UTC 2023`
Record UNII	QQ4879ZQ74
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IVABRADINE ADIPATE

Common Name

English

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

Systematic Name

English

HEXANEDIOIC ACID, COMPD. WITH 3-(3-((((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)METHYLAMINO)PROPYL)-1,3,4,5-TETRAHYDRO-7,8-DIMETHOXY-2H-3-BENZAZEPIN-2-ONE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

QQ4879ZQ74

Created by admin on Sat Dec 16 19:10:49 UTC 2023 , Edited by admin on Sat Dec 16 19:10:49 UTC 2023

PRIMARY

SMS_ID

100000171721

Created by admin on Sat Dec 16 19:10:49 UTC 2023 , Edited by admin on Sat Dec 16 19:10:49 UTC 2023

PRIMARY

CAS

1352616-49-9

Created by admin on Sat Dec 16 19:10:49 UTC 2023 , Edited by admin on Sat Dec 16 19:10:49 UTC 2023

PRIMARY

PUBCHEM

86680271

Created by admin on Sat Dec 16 19:10:49 UTC 2023 , Edited by admin on Sat Dec 16 19:10:49 UTC 2023

PRIMARY

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