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

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

Approval Year

Name

Type

Language

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

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-

Systematic Name

English

Code System Code Type Description

PUBCHEM

77461078

Created by admin on Sat Dec 16 18:37:32 GMT 2023 , Edited by admin on Sat Dec 16 18:37:32 GMT 2023

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PUBCHEM

CAS

1616710-52-1

Created by admin on Sat Dec 16 18:37:32 GMT 2023 , Edited by admin on Sat Dec 16 18:37:32 GMT 2023

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EPA CompTox

DTXSID601100647

Created by admin on Sat Dec 16 18:37:32 GMT 2023 , Edited by admin on Sat Dec 16 18:37:32 GMT 2023

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FDA UNII

CK5FMB9PZA

Created by admin on Sat Dec 16 18:37:32 GMT 2023 , Edited by admin on Sat Dec 16 18:37:32 GMT 2023

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SUBSTANCE RECORD


					CK5FMB9PZA

2-OXOIVABRADINE