IVABRADINE HEMISULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C27H36N2O5.H2O4S
Molecular Weight	1035.249
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.COC1=C(OC)C=C2[C@@H](CN(C)CCCN3CCC4=CC(OC)=C(OC)C=C4CC3=O)CC2=C1.COC5=C(OC)C=C6[C@@H](CN(C)CCCN7CCC8=CC(OC)=C(OC)C=C8CC7=O)CC6=C5

InChI

InChIKey=AMRKLKWJQKOGOF-ITEXDBGESA-N

InChI=1S/2C27H36N2O5.H2O4S/c2*1-28(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;1-5(2,3)4/h2*12-14,16,21H,6-11,15,17H2,1-5H3;(H2,1,2,3,4)/t2*21-;/m11./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	UNSPECIFIED

Molecular Formula	H2O4S
Molecular Weight	98.078
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 15:04:35 UTC 2023` Edited by `admin` on `Sat Dec 16 15:04:35 UTC 2023`
Record UNII	F646VH2WJO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IVABRADINE HEMISULFATE

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)-1,3,4,5-TETRAHYDRO-7,8-DIMETHOXY-, SULFATE (2:1)

Systematic Name

English

Code System Code Type Description

CAS

1422274-66-5

Created by admin on Sat Dec 16 15:04:35 UTC 2023 , Edited by admin on Sat Dec 16 15:04:35 UTC 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

F646VH2WJO

Created by admin on Sat Dec 16 15:04:35 UTC 2023 , Edited by admin on Sat Dec 16 15:04:35 UTC 2023

PRIMARY

PUBCHEM

134694287

Created by admin on Sat Dec 16 15:04:35 UTC 2023 , Edited by admin on Sat Dec 16 15:04:35 UTC 2023

PRIMARY

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