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

Details

Stereochemistry ABSOLUTE
Molecular Formula C5H6N2O4
Molecular Weight 158.1121
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IBOTENIC ACID, (R)-

SMILES

N[C@@H](C(O)=O)C1=CC(=O)NO1

InChI

InChIKey=IRJCBFDCFXCWGO-SCSAIBSYSA-N
InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)/t4-/m1/s1

HIDE SMILES / InChI

Molecular Formula C5H6N2O4
Molecular Weight 158.1121
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:01 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:01 GMT 2023
Record UNII
2E2IFW45G0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IBOTENIC ACID, (R)-
Common Name English
IBOTENIC ACID, D-
Common Name English
5-ISOXAZOLEACETIC ACID, .ALPHA.-AMINO-2,3-DIHYDRO-3-OXO-, (.ALPHA.R)-
Common Name English
4-ISOXAZOLINE-5-ACETIC ACID, .ALPHA.-AMINO-3-OXO-, D-
Common Name English
Code System Code Type Description
PUBCHEM
6971209
Created by admin on Sat Dec 16 08:33:01 GMT 2023 , Edited by admin on Sat Dec 16 08:33:01 GMT 2023
PRIMARY
FDA UNII
2E2IFW45G0
Created by admin on Sat Dec 16 08:33:01 GMT 2023 , Edited by admin on Sat Dec 16 08:33:01 GMT 2023
PRIMARY
CAS
25690-46-4
Created by admin on Sat Dec 16 08:33:01 GMT 2023 , Edited by admin on Sat Dec 16 08:33:01 GMT 2023
PRIMARY