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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12N2O2
Molecular Weight 204.2252
Optical Activity ( + / - )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

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

SMILES

NN1C(=O)[C@H]2[C@H]([C@H]3C=C[C@@H]2[C@@H]4C[C@H]34)C1=O

InChI

InChIKey=FKJJFXNAYYRHSY-OVNJMVFWSA-N
InChI=1S/C11H12N2O2/c12-13-10(14)8-4-1-2-5(7-3-6(4)7)9(8)11(13)15/h1-2,4-9H,3,12H2/t4-,5+,6+,7-,8-,9+

HIDE SMILES / InChI

Molecular Formula C11H12N2O2
Molecular Weight 204.2252
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 01:14:31 UTC 2019
Edited
by admin
on Tue Oct 22 01:14:31 UTC 2019
Record UNII
57LY3IKN0N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-AMINO-4,4A,5,5A,6,6A-HEXAHYDRO-4,6-ETHENOCYCLOPROP(F)ISOINDOLE-1,3(2H,3AH)-DIONE, (3A.ALPHA.,4.BETA.,4A.ALPHA.,5A.ALPHA.,6.BETA.,6A.ALPHA.)-
Common Name English
NSC-328427
Brand Name English
TECOVIRIMAT METABOLITE M4
Common Name English
4,6-ETHENOCYCLOPROP(F)ISOINDOLE-1,3(2H,3AH)-DIONE, 2-AMINO-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
CAS
68422-98-0
Created by admin on Tue Oct 22 01:14:31 UTC 2019 , Edited by admin on Tue Oct 22 01:14:31 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE