L-733060, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19F6NO
Molecular Weight	403.3614
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(NCCC[C@@H]1OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChIKey=FCDRFVCGMLUYPG-ROUUACIJSA-N

InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H19F6NO
Molecular Weight	403.3614
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Neurokinin 1 receptor 35 Target ID: CHEMBL249 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8627597	Antagonist 2778		0.87 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:02:18 GMT 2023` Edited by `admin` on `Sat Dec 16 18:02:18 GMT 2023`
Record UNII	PK8CG2B44U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-733060, (+)-

Common Name

English

Piperidine, 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-, (2S,3S)-

Systematic Name

English

L-733060

Code

English

(2S,3S)-2-Phenyl-3-[[3,5-bis(trifluoromethyl)benzyl]oxy]piperidine

Systematic Name

English

(2S,3S)-3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine

Systematic Name

English

L-733,060

Code

English

(+)-L-733060 Free base

Common Name

English

(+)-L733060

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80933463