SELTOREXANT

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H22FN7O
Molecular Weight	407.4441
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SELTOREXANT

Structure Search

SMILES

[H][C@@]12CN(C[C@]1([H])CN(C2)C3=NC(C)=CC(C)=N3)C(=O)C4=C(C=CC=C4F)N5N=CC=N5

InChI

InChIKey=SQOCEMCKYDVLMM-IYBDPMFKSA-N

InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+

HIDE SMILES / InChI

Molecular Formula	C21H22FN7O
Molecular Weight	407.4441
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:25:17 UTC 2023` Edited by `admin` on `Sat Dec 16 08:25:17 UTC 2023`
Record UNII	AIS8N3O50B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SELTOREXANT

Official Name

English

JNJ-42847922

Code

English

(5-(4,6-DIMETHYL-2-PYRIMIDINYL)HEXAHYDROPYRROLO(3,4-C)PYRROL-2(1H)-YL)(2-FLUORO-6-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)METHANONE

Systematic Name

English

((3AR,6AS)-5-(4,6-DIMETHYLPYRIMIDIN- 2-YL)HEXAHYDROPYRROLO(3,4-C)PYRROL-2(1H)-YL)(2-FLUORO- 6-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)METHANONE OREXIN RECEPTOR ANTAGONIST

Common Name

English

Seltorexant [WHO-DD]

Common Name

English

METHANONE, ((3AR,6AS)-5-(4,6-DIMETHYL-2-PYRIMIDINYL)HEXAHYDROPYRROLO(3,4-C)PYRROL-2(1H)-YL)(2-FLUORO-6-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)-, REL-

Common Name

English

SELTOREXANT [USAN]

Common Name

English

2-(4,6-DIMETHYLPYRIMIDIN-2-YL)-5-((2-FLUORO-6-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)CARBONYL)OCTAHYDROPYRROLO(3,4-C)PYRROLE

Systematic Name

English

MIN-202

Code

English

METHANONE, (5-(4,6-DIMETHYL-2-PYRIMIDINYL)HEXAHYDROPYRROLO(3,4-C)PYRROL-2(1H)-YL)(2-FLUORO-6-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)-

Systematic Name

English

seltorexant [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C265

Created by admin on Sat Dec 16 08:25:17 UTC 2023 , Edited by admin on Sat Dec 16 08:25:17 UTC 2023

Code System Code Type Description

DRUG BANK

DB14961

Created by admin on Sat Dec 16 08:25:17 UTC 2023 , Edited by admin on Sat Dec 16 08:25:17 UTC 2023

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INN

10352

Created by admin on Sat Dec 16 08:25:17 UTC 2023 , Edited by admin on Sat Dec 16 08:25:17 UTC 2023

PRIMARY

USAN

EF-97

Created by admin on Sat Dec 16 08:25:17 UTC 2023 , Edited by admin on Sat Dec 16 08:25:17 UTC 2023

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PUBCHEM

86278359

Created by admin on Sat Dec 16 08:25:17 UTC 2023 , Edited by admin on Sat Dec 16 08:25:17 UTC 2023

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NCI_THESAURUS

C152326

Created by admin on Sat Dec 16 08:25:17 UTC 2023 , Edited by admin on Sat Dec 16 08:25:17 UTC 2023

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CAS

1452539-75-1

Created by admin on Sat Dec 16 08:25:17 UTC 2023 , Edited by admin on Sat Dec 16 08:25:17 UTC 2023

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FDA UNII

AIS8N3O50B

Created by admin on Sat Dec 16 08:25:17 UTC 2023 , Edited by admin on Sat Dec 16 08:25:17 UTC 2023

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CAS

1293281-49-8

Created by admin on Sat Dec 16 08:25:17 UTC 2023 , Edited by admin on Sat Dec 16 08:25:17 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

WIKIPEDIA

SELTOREXANT

Created by admin on Sat Dec 16 08:25:17 UTC 2023 , Edited by admin on Sat Dec 16 08:25:17 UTC 2023

PRIMARY

MIN-202 (also known as JNJ-42847922, JNJ-922) is a selective, small-molecule antagonist of the OX2 receptor that is under development by Minerva Neurosciences and Johnson & Johnson's Janssen Pharmaceutica for the treatment of insomnia and major depressive disorder (MDD). As of December 2015, it is in phase II clinical trials for both insomnia and MDD. The chemical structure of MIN-202 has yet to be disclosed.

EPA CompTox

DTXSID201336125

Created by admin on Sat Dec 16 08:25:17 UTC 2023 , Edited by admin on Sat Dec 16 08:25:17 UTC 2023

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SMS_ID

100000174653

Created by admin on Sat Dec 16 08:25:17 UTC 2023 , Edited by admin on Sat Dec 16 08:25:17 UTC 2023

PRIMARY

Related Record Type Details


					AD890S9AKZ

OREXIN RECEPTOR TYPE 2

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					AIS8N3O50B

ACTIVE MOIETY

Comments:

Drug: JNJ 42847922(Primary); Indication: Major depressive disorder; Focus: Adverse reaction; Sponsor: Janssen-Cilag; Most Recent Events: 21 Jan 2015 Preliminary results published in Minerva Neurosciences media release., 14 Jan 2015 Status changed from recruiting to completed as reported by ClinicalTrials.gov record., 16 Oct 2014 Planned End Date changed from 1 Sep 2014 to 1 Nov 2014 as reported by ClinicalTrials.gov record.

Amount: