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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12N2O2
Molecular Weight 180.2038
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABBOTT-87770

SMILES

CN1[C@@H](CCC1=O)C2=CC(C)=NO2

InChI

InChIKey=RAWGMEGVYYKGIL-ZETCQYMHSA-N
InChI=1S/C9H12N2O2/c1-6-5-8(13-10-6)7-3-4-9(12)11(7)2/h5,7H,3-4H2,1-2H3/t7-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
ABBOTT-87770
Code English
2-PYRROLIDINONE, 1-METHYL-5-(3-METHYL-5-ISOXAZOLYL)-, (S)-
Systematic Name English
3-METHYL-5-(1-METHYL-5-OXO-2(S)-PYRROLIDINYL)ISOXAZOLE
Systematic Name English
A 87770
Code English
Code System Code Type Description
FDA UNII
UV7YDF38MJ
Created by admin on Sat Dec 16 17:04:00 GMT 2023 , Edited by admin on Sat Dec 16 17:04:00 GMT 2023
PRIMARY
PUBCHEM
15205599
Created by admin on Sat Dec 16 17:04:00 GMT 2023 , Edited by admin on Sat Dec 16 17:04:00 GMT 2023
PRIMARY
CAS
147402-88-8
Created by admin on Sat Dec 16 17:04:00 GMT 2023 , Edited by admin on Sat Dec 16 17:04:00 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of ABT-418
SUBSTANCE RECORD
Structure of ABBOTT-87770
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966