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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 M13

SMILES

OCC1=CC(=CC=C1OCCN2CCCC2=O)\N=C3/NC(=CC=N3)C4=CC=CC(=C4)C(O)=O

InChI

InChIKey=NQMSEWQWHGZBSR-UHFFFAOYSA-N
InChI=1S/C24H24N4O5/c29-15-18-14-19(6-7-21(18)33-12-11-28-10-2-5-22(28)30)26-24-25-9-8-20(27-24)16-3-1-4-17(13-16)23(31)32/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 Fri Jul 07 00:47:40 UTC 2023
Edited
by admin
on Fri Jul 07 00:47:40 UTC 2023
Record UNII
85DS3EU9EG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pacritinib Metabolite M13
Common Name English
(E)-3-(2-((3-(hydroxymethyl)-4-(2-(2-oxopyrrolidin-1-yl)ethoxy)phenyl)imino)-2,3-dihydropyrimidin-4-yl)benzoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
85DS3EU9EG
Created by admin on Fri Jul 07 00:47:41 UTC 2023 , Edited by admin on Fri Jul 07 00:47:41 UTC 2023
PRIMARY
PUBCHEM
166451455
Created by admin on Fri Jul 07 00:47:41 UTC 2023 , Edited by admin on Fri Jul 07 00:47:41 UTC 2023
PRIMARY
Related Record Type Details
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