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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H20N2O5
Molecular Weight 392.4046
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REGLITAZAR, (S)-

SMILES

CC1=C(CCOC2=CC=C(C[C@H]3C(=O)NOC3=O)C=C2)N=C(O1)C4=CC=CC=C4

InChI

InChIKey=QBQLYIISSRXYKL-SFHVURJKSA-N
InChI=1S/C22H20N2O5/c1-14-19(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-18-20(25)24-29-22(18)26/h2-10,18H,11-13H2,1H3,(H,24,25)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H20N2O5
Molecular Weight 392.4046
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 11:16:43 UTC 2023
Edited
by admin
on Sat Dec 16 11:16:43 UTC 2023
Record UNII
05GV66DCBS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REGLITAZAR, (S)-
Common Name English
3,5-ISOXAZOLIDINEDIONE, 4-((4-(2-(5-METHYL-2-PHENYL-4-OXAZOLYL)ETHOXY)PHENYL)METHYL)-, (4S)-
Systematic Name English
Code System Code Type Description
CAS
1029132-99-7
Created by admin on Sat Dec 16 11:16:43 UTC 2023 , Edited by admin on Sat Dec 16 11:16:43 UTC 2023
PRIMARY
PUBCHEM
76967634
Created by admin on Sat Dec 16 11:16:43 UTC 2023 , Edited by admin on Sat Dec 16 11:16:43 UTC 2023
PRIMARY
FDA UNII
05GV66DCBS
Created by admin on Sat Dec 16 11:16:43 UTC 2023 , Edited by admin on Sat Dec 16 11:16:43 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER