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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H19F3N2O4
Molecular Weight 408.3711
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-PIPERIDINEDIONE, 5-(((2-METHOXY-5-(TRIFLUOROMETHOXY)PHENYL)METHYL)AMINO)-6-PHENYL-, (5R,6S)-

SMILES

COC1=CC=C(OC(F)(F)F)C=C1CN[C@@H]2[C@@H](NC(=O)CC2=O)C3=CC=CC=C3

InChI

InChIKey=SQBCTTVGKCSVTP-OALUTQOASA-N
InChI=1S/C20H19F3N2O4/c1-28-16-8-7-14(29-20(21,22)23)9-13(16)11-24-19-15(26)10-17(27)25-18(19)12-5-3-2-4-6-12/h2-9,18-19,24H,10-11H2,1H3,(H,25,27)/t18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H19F3N2O4
Molecular Weight 408.3711
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:34:27 UTC 2023
Edited
by admin
on Sat Dec 16 16:34:27 UTC 2023
Record UNII
5BU4YE0JNW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-PIPERIDINEDIONE, 5-(((2-METHOXY-5-(TRIFLUOROMETHOXY)PHENYL)METHYL)AMINO)-6-PHENYL-, (5R,6S)-
Systematic Name English
CP-122721 METABOLITE M16
Common Name English
Code System Code Type Description
PUBCHEM
154572821
Created by admin on Sat Dec 16 16:34:27 UTC 2023 , Edited by admin on Sat Dec 16 16:34:27 UTC 2023
PRIMARY
FDA UNII
5BU4YE0JNW
Created by admin on Sat Dec 16 16:34:27 UTC 2023 , Edited by admin on Sat Dec 16 16:34:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID001025035
Created by admin on Sat Dec 16 16:34:27 UTC 2023 , Edited by admin on Sat Dec 16 16:34:27 UTC 2023
PRIMARY
CAS
944942-45-4
Created by admin on Sat Dec 16 16:34:27 UTC 2023 , Edited by admin on Sat Dec 16 16:34:27 UTC 2023
PRIMARY
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