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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 of 2-OXOIVABRADINE

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

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 Sat Dec 16 18:37:32 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:32 GMT 2023
Record UNII
CK5FMB9PZA
Record Status Validated (UNII)
Record Version
  • Download
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
PRIMARY 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
PRIMARY
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
PRIMARY
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
PRIMARY
Related Record Type Details
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