Pacritinib Metabolite M5

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 Search

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 `Sat Dec 16 19:30:35 UTC 2023` Edited by `admin` on `Sat Dec 16 19:30:35 UTC 2023`
Record UNII	V2SC89G96D
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 19:30:35 UTC 2023 , Edited by admin on Sat Dec 16 19:30:35 UTC 2023

PRIMARY

PUBCHEM

167713267

Created by admin on Sat Dec 16 19:30:35 UTC 2023 , Edited by admin on Sat Dec 16 19:30:35 UTC 2023

PRIMARY

Related Record Type Details


					G22N65IL3O

PACRITINIB

PARENT -> METABOLITE

Qualification:

FECAL; PLASMA; URINE

Amount: