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Details

Stereochemistry ACHIRAL
Molecular Formula C22H21N3O3
Molecular Weight 375.4204
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pacritinib Metabolite M2

SMILES

OC1=CC=C2C=C1COC\C=C\COCC3=CC(=CC=C3)C4=CC=NC(N4)=N2

InChI

InChIKey=UVANEUUATLLBKA-OWOJBTEDSA-N
InChI=1S/C22H21N3O3/c26-21-7-6-19-13-18(21)15-28-11-2-1-10-27-14-16-4-3-5-17(12-16)20-8-9-23-22(24-19)25-20/h1-9,12-13,26H,10-11,14-15H2,(H,23,24,25)/b2-1+

HIDE SMILES / InChI

Molecular Formula C22H21N3O3
Molecular Weight 375.4204
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 00:47:40 UTC 2023
Edited
by admin
on Fri Jul 07 00:47:40 UTC 2023
Record UNII
UD78C37Y28
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pacritinib Metabolite M2
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-decaen-11-ol, (16E)-
Systematic Name English
SB-2403
Code English
(16E)-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-ol
Systematic Name English
Code System Code Type Description
CAS
1312603-69-2
Created by admin on Fri Jul 07 00:47:40 UTC 2023 , Edited by admin on Fri Jul 07 00:47:40 UTC 2023
PRIMARY
PUBCHEM
53364338
Created by admin on Fri Jul 07 00:47:40 UTC 2023 , Edited by admin on Fri Jul 07 00:47:40 UTC 2023
PRIMARY
FDA UNII
UD78C37Y28
Created by admin on Fri Jul 07 00:47:40 UTC 2023 , Edited by admin on Fri Jul 07 00:47:40 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
Predominant Metabolite in human studies
MAJOR
FECAL; PLASMA; URINE