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Details

Stereochemistry ACHIRAL
Molecular Formula C24H24N4O5
Molecular Weight 448.4712
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Pacritinib Metabolite M12

SMILES

OCC1=CC(=CC=C1)C2=CC=N\C(N2)=N\C3=CC=C(OCCN4CCCC4=O)C(=C3)C(O)=O

InChI

InChIKey=OQBOPUFXYBJCMV-UHFFFAOYSA-N
InChI=1S/C24H24N4O5/c29-15-16-3-1-4-17(13-16)20-8-9-25-24(27-20)26-18-6-7-21(19(14-18)23(31)32)33-12-11-28-10-2-5-22(28)30/h1,3-4,6-9,13-14,29H,2,5,10-12,15H2,(H,31,32)(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula C24H24N4O5
Molecular Weight 448.4712
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:13:55 GMT 2023
Edited
by admin
on Sat Dec 16 19:13:55 GMT 2023
Record UNII
H92X8CUX77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pacritinib Metabolite M12
Common Name English
(E)-5-((6-(3-(hydroxymethyl)phenyl)pyrimidin-2(1H)-ylidene)amino)-2-(2-(2-oxopyrrolidin-1-yl)ethoxy)benzoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
H92X8CUX77
Created by admin on Sat Dec 16 19:13:55 GMT 2023 , Edited by admin on Sat Dec 16 19:13:55 GMT 2023
PRIMARY
PUBCHEM
166177225
Created by admin on Sat Dec 16 19:13:55 GMT 2023 , Edited by admin on Sat Dec 16 19:13:55 GMT 2023
PRIMARY
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