U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C28H32N4O5
Molecular Weight 504.5775
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pacritinib Metabolite M5

SMILES

OC(=O)CCCNCCOC1=CC=C2C=C1COC\C=C\COCC3=CC(=CC=C3)C4=CC=NC(N4)=N2

InChI

InChIKey=UBBUSDFUFYXRAU-OWOJBTEDSA-N
InChI=1S/C28H32N4O5/c33-27(34)7-4-11-29-13-16-37-26-9-8-24-18-23(26)20-36-15-2-1-14-35-19-21-5-3-6-22(17-21)25-10-12-30-28(31-24)32-25/h1-3,5-6,8-10,12,17-18,29H,4,7,11,13-16,19-20H2,(H,33,34)(H,30,31,32)/b2-1+

HIDE SMILES / InChI

Molecular Formula C28H32N4O5
Molecular Weight 504.5775
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:47:01 UTC 2023
Edited
by admin
on Fri Jul 07 00:47:01 UTC 2023
Record UNII
V2SC89G96D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pacritinib Metabolite M5
Common Name English
4-((2-(((2.sup.2E,8E)-2.sup.1,2.sup.2-dihydro-6,11-dioxa-3-aza-2(6,2)-pyrimidina-1,4(1,3)-dibenzenacyclododecaphan-8-en-4.sup.4-yl)oxy)ethyl)amino)butanoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
V2SC89G96D
Created by admin on Fri Jul 07 00:47:02 UTC 2023 , Edited by admin on Fri Jul 07 00:47:02 UTC 2023
PRIMARY
PUBCHEM
167713267
Created by admin on Fri Jul 07 00:47:02 UTC 2023 , Edited by admin on Fri Jul 07 00:47:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA; URINE