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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H14N2O2
Molecular Weight 182.22
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABT-418-N-OXIDE, S-CIS-

SMILES

Cc1cc([C@]2([H])CCC[N@@]2(=O)C)on1

InChI

InChIKey=VQFWOBFDOPPTMH-KWQFWETISA-N
InChI=1S/C9H14N2O2/c1-7-6-9(13-10-7)8-4-3-5-11(8,2)12/h6,8H,3-5H2,1-2H3/t8-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H14N2O2
Molecular Weight 182.22
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 01:26:42 UTC 2021
Edited
by admin
on Sat Jun 26 01:26:42 UTC 2021
Record UNII
9BJL40ZG18
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABT-418-N-OXIDE, S-CIS-
Code English
ISOXAZOLE, 3-METHYL-5-(1-METHYL-1-OXIDO-2-PYRROLIDINYL)-, (1S-CIS)-
Systematic Name English
Code System Code Type Description
CAS
158840-77-8
Created by admin on Sat Jun 26 01:26:42 UTC 2021 , Edited by admin on Sat Jun 26 01:26:42 UTC 2021
PRIMARY
FDA UNII
9BJL40ZG18
Created by admin on Sat Jun 26 01:26:42 UTC 2021 , Edited by admin on Sat Jun 26 01:26:42 UTC 2021
PRIMARY
PUBCHEM
102065874
Created by admin on Sat Jun 26 01:26:42 UTC 2021 , Edited by admin on Sat Jun 26 01:26:42 UTC 2021
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
PARENT -> METABOLITE