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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H11NO2
Molecular Weight 189.2105
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,6-ETHENOCYCLOPROP(F)ISOINDOLE-1,3(2H,3AH)-DIONE, 4,4A,5,5A,6,6A-HEXAHYDRO-, (3A.ALPHA.,4.BETA.,4A.ALPHA.,5A.ALPHA.,6.BETA.,6A.ALPHA.)-

SMILES

O=C1NC(=O)[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@H]4C[C@@H]34

InChI

InChIKey=RUQZYIRKVNGHEL-OVNJMVFWSA-N
InChI=1S/C11H11NO2/c13-10-8-4-1-2-5(7-3-6(4)7)9(8)11(14)12-10/h1-2,4-9H,3H2,(H,12,13,14)/t4-,5+,6+,7-,8-,9+

HIDE SMILES / InChI

Molecular Formula C11H11NO2
Molecular Weight 189.2105
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 03:14:30 GMT 2025
Edited
by admin
on Wed Apr 02 03:14:30 GMT 2025
Record UNII
FHP4KNX5CA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TECOVIRIMAT METABOLITE M5
Preferred Name English
4,6-ETHENOCYCLOPROP(F)ISOINDOLE-1,3(2H,3AH)-DIONE, 4,4A,5,5A,6,6A-HEXAHYDRO-, (3A.ALPHA.,4.BETA.,4A.ALPHA.,5A.ALPHA.,6.BETA.,6A.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
FHP4KNX5CA
Created by admin on Wed Apr 02 03:14:30 GMT 2025 , Edited by admin on Wed Apr 02 03:14:30 GMT 2025
PRIMARY
PUBCHEM
156596546
Created by admin on Wed Apr 02 03:14:30 GMT 2025 , Edited by admin on Wed Apr 02 03:14:30 GMT 2025
PRIMARY
CAS
59728-07-3
Created by admin on Wed Apr 02 03:14:30 GMT 2025 , Edited by admin on Wed Apr 02 03:14:30 GMT 2025
PRIMARY
Related Record Type Details
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