PIMAVANSERIN N-OXIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H34FN3O3
Molecular Weight	443.5542
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C3CC[N+](C)([O-])CC3)C=C1

InChI

InChIKey=OJRCOBBRTONMAK-UHFFFAOYSA-N

InChI=1S/C25H34FN3O3/c1-19(2)18-32-24-10-6-20(7-11-24)16-27-25(30)28(17-21-4-8-22(26)9-5-21)23-12-14-29(3,31)15-13-23/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)

HIDE SMILES / InChI

Molecular Formula	C25H34FN3O3
Molecular Weight	443.5542
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 15:07:01 GMT 2023` Edited by `admin` on `Sat Dec 16 15:07:01 GMT 2023`
Record UNII	2DA75VO6C2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PIMAVANSERIN N-OXIDE

Common Name

English

AC-260285

Common Name

English

PIMAVANSERIN METABOLITE M32

Common Name

English

1-((4-FLUOROPHENYL)METHYL)-1-(1-HYDROXY-1-METHYL-PIPERIDIN-1-IUM-4-YL)-3-((4-ISOBUTOXYPHENYL)METHYL)UREA

Systematic Name

English

AC-285

Common Name

English

UREA, N-((4-FLUOROPHENYL)METHYL)-N-(1-METHYL-1-OXIDO-4-PIPERIDINYL)-N'-((4-(2-METHYLPROPOXY)PHENYL)METHYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

2DA75VO6C2

Created by admin on Sat Dec 16 15:07:01 GMT 2023 , Edited by admin on Sat Dec 16 15:07:01 GMT 2023

PRIMARY

CAS

1134815-71-6

Created by admin on Sat Dec 16 15:07:01 GMT 2023 , Edited by admin on Sat Dec 16 15:07:01 GMT 2023

PRIMARY

PUBCHEM

87619654

Created by admin on Sat Dec 16 15:07:01 GMT 2023 , Edited by admin on Sat Dec 16 15:07:01 GMT 2023

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Related Record Type Details


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PIMAVANSERIN

PARENT -> METABOLITE