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Details

Stereochemistry ACHIRAL
Molecular Formula C28H32N4O4
Molecular Weight 488.5781
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pacritinib Metabolite M3

SMILES

[O-][N+]5(CCOC1=CC=C2C=C1COC\C=C\COCC3=CC(=CC=C3)C4=CC=NC(N4)=N2)CCCC5

InChI

InChIKey=KEKQGLNEXHISDW-ONEGZZNKSA-N
InChI=1S/C28H32N4O4/c33-32(12-1-2-13-32)14-17-36-27-9-8-25-19-24(27)21-35-16-4-3-15-34-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+

HIDE SMILES / InChI

Molecular Formula C28H32N4O4
Molecular Weight 488.5781
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:24:20 GMT 2025
Edited
by admin
on Wed Apr 02 16:24:20 GMT 2025
Record UNII
HDP2BY9U63
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pacritinib N-Oxide
Preferred Name English
Pacritinib Metabolite M3
Common Name English
14,19-Dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene, 11-[2-(1-oxido-1-pyrrolidinyl)ethoxy]-, (16E)-
Systematic Name English
Code System Code Type Description
CAS
1969410-53-4
Created by admin on Wed Apr 02 16:24:20 GMT 2025 , Edited by admin on Wed Apr 02 16:24:20 GMT 2025
PRIMARY
FDA UNII
HDP2BY9U63
Created by admin on Wed Apr 02 16:24:20 GMT 2025 , Edited by admin on Wed Apr 02 16:24:20 GMT 2025
PRIMARY
PUBCHEM
164888934
Created by admin on Wed Apr 02 16:24:20 GMT 2025 , Edited by admin on Wed Apr 02 16:24:20 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
PLASMA; URINE