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

Details

Stereochemistry UNKNOWN
Molecular Formula C8H11NO5
Molecular Weight 201.1766
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DIMETHYL-3,4-EPOXY-5-HYDROXY-3-(METHOXYCARBONYL)-.GAMMA.-BUTYROLACTAM, (3S,4R)-

SMILES

COC(=O)[C@]12O[C@@]1(C)C(C)(O)NC2=O

InChI

InChIKey=CVBAQIXFRBFEAQ-PPSBICQBSA-N
InChI=1S/C8H11NO5/c1-6-7(2,12)9-4(10)8(6,14-6)5(11)13-3/h12H,1-3H3,(H,9,10)/t6-,7?,8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H11NO5
Molecular Weight 201.1766
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:22:28 GMT 2025
Edited
by admin
on Mon Mar 31 22:22:28 GMT 2025
Record UNII
TAV44Z6JE8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-DIMETHYL-3,4-EPOXY-5-HYDROXY-3-(METHOXYCARBONYL)-.GAMMA.-BUTYROLACTAM, (3S,4R)-
Common Name English
4,5-DIMETHYL-3,4-EPOXY-5-HYDROXY-3-(METHYLCARBONYL)-GAMMA-BUTYROLACTAM
Preferred Name English
6-OXA-3-AZABICYCLO(3.1.0)HEXANE-1-CARBOXYLIC ACID, 4-HYDROXY-4,5-DIMETHYL-2-OXO-, METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
TAV44Z6JE8
Created by admin on Mon Mar 31 22:22:28 GMT 2025 , Edited by admin on Mon Mar 31 22:22:28 GMT 2025
PRIMARY
PUBCHEM
10397912
Created by admin on Mon Mar 31 22:22:28 GMT 2025 , Edited by admin on Mon Mar 31 22:22:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID90931450
Created by admin on Mon Mar 31 22:22:28 GMT 2025 , Edited by admin on Mon Mar 31 22:22:28 GMT 2025
PRIMARY
CAS
142438-62-8
Created by admin on Mon Mar 31 22:22:28 GMT 2025 , Edited by admin on Mon Mar 31 22:22:28 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY