Pacritinib Metabolite M3

Details

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

SHOW SMILES / InChI

Structure Search

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 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:31:55 GMT 2023` Edited by `admin` on `Sat Dec 16 19:31:55 GMT 2023`
Record UNII	HDP2BY9U63
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Pacritinib N-Oxide

Common Name

English

Code System Code Type Description

CAS

1969410-53-4

Created by admin on Sat Dec 16 19:31:55 GMT 2023 , Edited by admin on Sat Dec 16 19:31:55 GMT 2023

PRIMARY

FDA UNII

HDP2BY9U63

Created by admin on Sat Dec 16 19:31:55 GMT 2023 , Edited by admin on Sat Dec 16 19:31:55 GMT 2023

PRIMARY

PUBCHEM

164888934

Created by admin on Sat Dec 16 19:31:55 GMT 2023 , Edited by admin on Sat Dec 16 19:31:55 GMT 2023

PRIMARY

Related Record Type Details


					G22N65IL3O

PACRITINIB

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

PLASMA; URINE

Amount: