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Substance Name: Citatepine [INN]
RN: 65509-66-2
UNII: 92S48G7U0W
InChIKey: AGBTZJDOBMDLPR-UHFFFAOYSA-N

Molecular Formula

  • C20-H18-N2-S

Molecular Weight

  • 318.442
 
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Names and Synonyms

Name of Substance

  • Citatepine [INN]

Synonyms

  • 2,3,4,5-Tetrahydro-3-methyl-1H-dibenzo(2,3:6,7)thiepino(4,5-d)azepine-7-carbonitrile
  • Citatepine
  • UNII-92S48G7U0W

Systematic Name

  • 2,3,4,5-Tetrahydro-3-methyl-1H-dibenzo(2,3:6,7)thiepino(4,5-d)azepine-7-carbonitrile.

Registry Numbers

CAS Registry Number

  • 65509-66-2

FDA UNII

  • 92S48G7U0W

System Generated Number

  • 0065509662

Structure Descriptors

InChI

1S/C20H18N2S/c1-22-10-8-15-16(9-11-22)18-12-14(13-21)6-7-20(18)23-19-5-3-2-4-17(15)19/h2-7,12H,8-11H2,1H3

InChIKey

AGBTZJDOBMDLPR-UHFFFAOYSA-N

Smiles

c12ccccc1C1=C(c3c(ccc(c3)C#N)S2)CC[N@@](CC1)C