2-OXOIVABRADINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H34N2O6
Molecular Weight	482.5687
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C=C1OC)[C@@H](CN(C)CCCN3CCC4=C(C=C(OC)C(OC)=C4)C(=O)C3=O)C2

InChI

InChIKey=YSGOAIHWBZMVOB-LJQANCHMSA-N

InChI=1S/C27H34N2O6/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/h12-15,19H,6-11,16H2,1-5H3/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H34N2O6
Molecular Weight	482.5687
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 `Wed Apr 02 11:46:17 GMT 2025` Edited by `admin` on `Wed Apr 02 11:46:17 GMT 2025`
Record UNII	CK5FMB9PZA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-3-BENZAZEPINE-1,2(3H)-DIONE, 3-(3-((((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)METHYLAMINO)PROPYL)-4,5-DIHYDRO-7,8-DIMETHOXY-

Preferred Name

English

2-OXOIVABRADINE

Common Name

English

3-(3-((((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)METHYLAMINO)PROPYL)-4,5-DIHYDRO-7,8-DIMETHOXY-1H-3-BENZAZEPINE-1,2(3H)-DIONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

77461078

Created by admin on Wed Apr 02 11:46:17 GMT 2025 , Edited by admin on Wed Apr 02 11:46:17 GMT 2025

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PUBCHEM

CAS

1616710-52-1

Created by admin on Wed Apr 02 11:46:17 GMT 2025 , Edited by admin on Wed Apr 02 11:46:17 GMT 2025

PRIMARY

EPA CompTox

DTXSID601100647

Created by admin on Wed Apr 02 11:46:17 GMT 2025 , Edited by admin on Wed Apr 02 11:46:17 GMT 2025

PRIMARY

FDA UNII

CK5FMB9PZA

Created by admin on Wed Apr 02 11:46:17 GMT 2025 , Edited by admin on Wed Apr 02 11:46:17 GMT 2025

PRIMARY

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