3-(3-((((S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1(6),2,4-TRIEN-7-YL)METHYL)(METHYL)AMINO)PROPYL)-1-HYDROXY-7,8-DIMETHOXY-1,3,4,5-TETRAHYDRO-2H-BENZO(D)AZEPIN-2-ONE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C27H36N2O6
Molecular Weight	484.5845
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(3-((((S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1(6),2,4-TRIEN-7-YL)METHYL)(METHYL)AMINO)PROPYL)-1-HYDROXY-7,8-DIMETHOXY-1,3,4,5-TETRAHYDRO-2H-BENZO(D)AZEPIN-2-ONE

Structure Search

SMILES

COC1=C(OC)C=C2[C@@H](CN(C)CCCN3CCC4=CC(OC)=C(OC)C=C4C(O)C3=O)CC2=C1

InChI

InChIKey=XEFSCBQMKBJPJZ-ICCFGIFFSA-N

InChI=1S/C27H36N2O6/c1-28(16-19-11-18-13-23(33-3)24(34-4)14-20(18)19)8-6-9-29-10-7-17-12-22(32-2)25(35-5)15-21(17)26(30)27(29)31/h12-15,19,26,30H,6-11,16H2,1-5H3/t19-,26?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H36N2O6
Molecular Weight	484.5845
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:35:07 GMT 2023` Edited by `admin` on `Sat Dec 16 18:35:07 GMT 2023`
Record UNII	9VBK53FRT6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(3-((((S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1(6),2,4-TRIEN-7-YL)METHYL)(METHYL)AMINO)PROPYL)-1-HYDROXY-7,8-DIMETHOXY-1,3,4,5-TETRAHYDRO-2H-BENZO(D)AZEPIN-2-ONE

Common Name

English

IVABRADINE IMPURITY VII

Common Name

English

Code System Code Type Description

FDA UNII

9VBK53FRT6

Created by admin on Sat Dec 16 18:35:07 GMT 2023 , Edited by admin on Sat Dec 16 18:35:07 GMT 2023

PRIMARY

PUBCHEM

129011681

Created by admin on Sat Dec 16 18:35:07 GMT 2023 , Edited by admin on Sat Dec 16 18:35:07 GMT 2023

PRIMARY

PUBCHEM

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IVABRADINE HYDROCHLORIDE

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Amount: