Pacritinib Metabolite M1

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 Search

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 `Fri Jul 07 00:49:27 UTC 2023` Edited by `admin` on `Fri Jul 07 00:49:27 UTC 2023`
Record UNII	9J4QL2SP4U
Record Status	`Validated (UNII)`
Record Version

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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 Fri Jul 07 00:49:27 UTC 2023 , Edited by admin on Fri Jul 07 00:49:27 UTC 2023

PRIMARY

PUBCHEM

53363151

Created by admin on Fri Jul 07 00:49:27 UTC 2023 , Edited by admin on Fri Jul 07 00:49:27 UTC 2023

PRIMARY

CAS

1312603-77-2

Created by admin on Fri Jul 07 00:49:27 UTC 2023 , Edited by admin on Fri Jul 07 00:49:27 UTC 2023

PRIMARY

Related Record Type Details


					G22N65IL3O

PACRITINIB

PARENT -> METABOLITE LESS ACTIVE

Comments:

Major metabolite in animal species lesser metabolite in human studies. Has 50% of the activity of the parent

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount: