LUBAZODONE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H18FNO2.ClH
Molecular Weight	287.758
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.FC1=CC=C(OC[C@@H]2CNCCO2)C3=C1CCC3

InChI

InChIKey=HWEMEKZYQCJVEZ-PPHPATTJSA-N

InChI=1S/C14H18FNO2.ClH/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10;/h4-5,10,16H,1-3,6-9H2;1H/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C14H18FNO2
Molecular Weight	251.2966
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/9025110 | https://adisinsight.springer.com/drugs/800008166

Lubazodone (YM 992) or (S)-2-[[(7-fluoro-4-indanyl)oxy]methyl]morpholine monohydrochloride, exhibited the biochemical profile of a selective serotonin (5-HT) reuptake inhibitor (SSRI) with 5-HT2A receptor antagonistic activity. It has been studied in the treatment of depression.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
5-hydroxytryptamine receptor 2A 69 Target ID: P14842 Gene ID: 29595.0 Gene Symbol: Htr2a Target Organism: Rattus norvegicus (Rat) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9025110	Antagonist 2778		86.0 nM [Ki]
Sodium-dependent serotonin transporter 40 Target ID: P31652 Gene ID: 25553.0 Gene Symbol: Slc6a4 Target Organism: Rattus norvegicus (Rat) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9025110	Inhibitor 8297		21.0 nM [Ki]

PubMed

Title	Date	PubMed
Pharmacological studies on YM992, a novel antidepressant with selective serotonin re-uptake inhibitory and 5-HT2A receptor antagonistic activity.	1997 Jun 18	9218680
YM 992. YM 35992.	1999 Jul	10610290
Effect of acute treatment with YM992 on extracellular norepinephrine levels in the rat frontal cortex.	2000 Apr 21	10781670
Effect of acute treatment with YM992 on extracellular serotonin levels in the rat frontal cortex.	2000 Apr 21	10781669

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:45:51 GMT 2023` Edited by `admin` on `Fri Dec 15 15:45:51 GMT 2023`
Record UNII	2KT2C544LR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LUBAZODONE HYDROCHLORIDE

Official Name

English

LUBAZODONE HCL

Common Name

English

YM992

Code

English

YM-992

Code

English

LUBAZODONE HYDROCHLORIDE [USAN]

Common Name

English

(S)-2-[[(7-Fluoro-4-indanyl)oxy]methyl]morpholine hydrochloride

Systematic Name

English

YM-35992

Code

English

SM-50C

Code

English

MORPHOLINE, 2-(((7-FLUORO-2,3-DIHYDRO-1H-INDEN-4-YL)OXY)METHYL)-, HYDROCHLORIDE (2S)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C265