Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Seltorexant [USAN]
RN: 1293281-49-8
InChIKey: SQOCEMCKYDVLMM-UHFFFAOYSA-N

Classification Code

  • Treatment of Insomnia and Major Depressive Disorder

Molecular Formula

  • C21-H22-F-N7-O

Molecular Weight

  • 407.4508
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Seltorexant [USAN]

Synonyms

  • ((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
  • JNJ-42847922
  • Seltorexant

Systematic Name

  • 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)-

Registry Numbers

CAS Registry Number

  • 1293281-49-8

System Generated Number

  • 1293281498

Structure Descriptors

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

InChIKey

SQOCEMCKYDVLMM-UHFFFAOYSA-N

Smiles

Cc1cc(C)nc(n1)N2CC3CN(CC3C2)C(=O)c4c(F)cccc4n5nccn5