U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H27NO5
Molecular Weight 481.5391
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(Benzoyloxy)-4a,5,9,10-tetrahydro-3-methoxy-6H-benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]phenylmethanone, [(4aS,6R,8aS)-

SMILES

COC1=C2O[C@H]3C[C@@H](OC(=O)C4=CC=CC=C4)C=C[C@]35CCN(CC(C=C1)=C25)C(=O)C6=CC=CC=C6

InChI

InChIKey=ODBFNKRWARDPMD-VQGKEWTASA-N
InChI=1S/C30H27NO5/c1-34-24-13-12-22-19-31(28(32)20-8-4-2-5-9-20)17-16-30-15-14-23(18-25(30)36-27(24)26(22)30)35-29(33)21-10-6-3-7-11-21/h2-15,23,25H,16-19H2,1H3/t23-,25-,30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Methanone, [(4aS,6R,8aS)-6-(benzoyloxy)-4a,5,9,10-tetrahydro-3-methoxy-6H-benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]phenyl-
Preferred Name English
6-(Benzoyloxy)-4a,5,9,10-tetrahydro-3-methoxy-6H-benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]phenylmethanone, [(4aS,6R,8aS)-
Systematic Name English
[(4aS,6R,8aS)-6-(Benzoyloxy)-4a,5,9,10-tetrahydro-3-methoxy-6H-benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]phenylmethanone
Systematic Name English
Code System Code Type Description
PUBCHEM
58028018
Created by admin on Wed Apr 02 21:25:29 GMT 2025 , Edited by admin on Wed Apr 02 21:25:29 GMT 2025
PRIMARY
FDA UNII
QY8W893N54
Created by admin on Wed Apr 02 21:25:29 GMT 2025 , Edited by admin on Wed Apr 02 21:25:29 GMT 2025
PRIMARY
CAS
1202753-99-8
Created by admin on Wed Apr 02 21:25:29 GMT 2025 , Edited by admin on Wed Apr 02 21:25:29 GMT 2025
PRIMARY