AC-271336

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H26FN3O3
Molecular Weight	387.4478
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C=CC(CNC(=O)N(CC2=CC=C(F)C=C2)C3CCNCC3)=C1

InChI

InChIKey=CKSHXDJQHFMDQL-UHFFFAOYSA-N

InChI=1S/C21H26FN3O3/c1-28-20-12-16(4-7-19(20)26)13-24-21(27)25(18-8-10-23-11-9-18)14-15-2-5-17(22)6-3-15/h2-7,12,18,23,26H,8-11,13-14H2,1H3,(H,24,27)

HIDE SMILES / InChI

Molecular Formula	C21H26FN3O3
Molecular Weight	387.4478
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 14:46:32 GMT 2023` Edited by `admin` on `Sat Dec 16 14:46:32 GMT 2023`
Record UNII	Z6B9HCK55C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AC-271336

Code

English

PIMAVANSERIN METABOLITE (AC-2713360)

Common Name

English

UREA, N-((4-FLUOROPHENYL)METHYL)-N'-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-N-4-PIPERIDINYL-

Systematic Name

English

1-((4-FLUOROPHENYL)METHYL)-3-((4-HYDROXY-3-METHOXY-PHENYL)METHYL)-1-(4-PIPERIDYL)UREA

Systematic Name

English

Code System Code Type Description

FDA UNII

Z6B9HCK55C

Created by admin on Sat Dec 16 14:46:32 GMT 2023 , Edited by admin on Sat Dec 16 14:46:32 GMT 2023

PRIMARY

PUBCHEM

68758263

Created by admin on Sat Dec 16 14:46:32 GMT 2023 , Edited by admin on Sat Dec 16 14:46:32 GMT 2023

PRIMARY

CAS

1246458-23-0

Created by admin on Sat Dec 16 14:46:32 GMT 2023 , Edited by admin on Sat Dec 16 14:46:32 GMT 2023

PRIMARY

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PIMAVANSERIN

PARENT -> METABOLITE