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Details

Stereochemistry ACHIRAL
Molecular Formula C28H30N4O4
Molecular Weight 486.5622
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pacritinib Metabolite M1

SMILES

O=C1CCCN1CCOC2=CC=C3C=C2COC\C=C\COCC4=CC(=CC=C4)C5=CC=NC(N5)=N3

InChI

InChIKey=HWPAUBMGDYJWHS-OWOJBTEDSA-N
InChI=1S/C28H30N4O4/c33-27-7-4-12-32(27)13-16-36-26-9-8-24-18-23(26)20-35-15-2-1-14-34-19-21-5-3-6-22(17-21)25-10-11-29-28(30-24)31-25/h1-3,5-6,8-11,17-18H,4,7,12-16,19-20H2,(H,29,30,31)/b2-1+

HIDE SMILES / InChI

Molecular Formula C28H30N4O4
Molecular Weight 486.5622
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 Sat Dec 16 19:33:06 GMT 2023
Edited
by admin
on Sat Dec 16 19:33:06 GMT 2023
Record UNII
9J4QL2SP4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pacritinib Metabolite M1
Common Name English
2-Pyrrolidinone, 1-[2-[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-decaen-11-yloxy]ethyl]-, (16E)-
Systematic Name English
Code System Code Type Description
FDA UNII
9J4QL2SP4U
Created by admin on Sat Dec 16 19:33:07 GMT 2023 , Edited by admin on Sat Dec 16 19:33:07 GMT 2023
PRIMARY
PUBCHEM
53363151
Created by admin on Sat Dec 16 19:33:07 GMT 2023 , Edited by admin on Sat Dec 16 19:33:07 GMT 2023
PRIMARY
CAS
1312603-77-2
Created by admin on Sat Dec 16 19:33:07 GMT 2023 , Edited by admin on Sat Dec 16 19:33:07 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
Major metabolite in animal species lesser metabolite in human studies. Has 50% of the activity of the parent
MAJOR
PLASMA