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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17FN2O4
Molecular Weight 296.2942
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-100440

SMILES

OC[C@H]1CN(C(=O)O1)C2=CC=C(N3CCOCC3)C(F)=C2

InChI

InChIKey=OLDRPBWULXUVTL-LLVKDONJSA-N
InChI=1S/C14H17FN2O4/c15-12-7-10(17-8-11(9-18)21-14(17)19)1-2-13(12)16-3-5-20-6-4-16/h1-2,7,11,18H,3-6,8-9H2/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H17FN2O4
Molecular Weight 296.2942
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:58:25 UTC 2023
Edited
by admin
on Sat Dec 16 09:58:25 UTC 2023
Record UNII
V7V7QJB5QJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PNU-100440
Common Name English
((R)-3-(3-FLUORO-4-MORPHOLINOPHENYL)-2-OXO-5-OXAZOLIDINYL)METHANOL
Systematic Name English
(R)-5-(HYDROXYMETHYL)-3-(3-FLUORO-4-MORPHOLINOPHENYL)OXAZOLIDIN-2-ONE
Systematic Name English
(R)-5-(HYDROXYMETHYL)-3-(3-FLUORO-4-MORPHOLINOPHENYL)OXAZOLIDIN-2-ONE, (-)-
Systematic Name English
2-OXAZOLIDINONE, 3-(3-FLUORO-4-(4-MORPHOLINYL)PHENYL)-5-(HYDROXYMETHYL)-, (5R)-
Systematic Name English
Code System Code Type Description
CAS
168828-82-8
Created by admin on Sat Dec 16 09:58:25 UTC 2023 , Edited by admin on Sat Dec 16 09:58:25 UTC 2023
PRIMARY
PUBCHEM
10541953
Created by admin on Sat Dec 16 09:58:25 UTC 2023 , Edited by admin on Sat Dec 16 09:58:25 UTC 2023
PRIMARY
FDA UNII
V7V7QJB5QJ
Created by admin on Sat Dec 16 09:58:25 UTC 2023 , Edited by admin on Sat Dec 16 09:58:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID90441549
Created by admin on Sat Dec 16 09:58:25 UTC 2023 , Edited by admin on Sat Dec 16 09:58:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
approximately 0.4 to 0.8% of the dose (trace level)