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.)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H12N2O2
Molecular Weight	204.2252
Optical Activity	UNSPECIFIED
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.)-

Structure Search

SMILES

[H][C@@]12C[C@]1([H])[C@@H]3C=C[C@H]2[C@@]4([H])C(=O)N(N)C(=O)[C@@]34[H]

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

Approval Year

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

EPA CompTox

DTXSID30330887

Created by admin on Sat Dec 16 14:58:57 GMT 2023 , Edited by admin on Sat Dec 16 14:58:57 GMT 2023

PRIMARY

NSC

328427

Created by admin on Sat Dec 16 14:58:57 GMT 2023 , Edited by admin on Sat Dec 16 14:58:57 GMT 2023

PRIMARY

FDA UNII

57LY3IKN0N

Created by admin on Sat Dec 16 14:58:57 GMT 2023 , Edited by admin on Sat Dec 16 14:58:57 GMT 2023

PRIMARY

PUBCHEM

131883354

Created by admin on Sat Dec 16 14:58:57 GMT 2023 , Edited by admin on Sat Dec 16 14:58:57 GMT 2023

PRIMARY

CAS

68422-98-0

Created by admin on Sat Dec 16 14:58:57 GMT 2023 , Edited by admin on Sat Dec 16 14:58:57 GMT 2023

PRIMARY

PARENT (METABOLITE INACTIVE)


					F925RR824R

SUBSTANCE RECORD


					57LY3IKN0N

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.)-