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Substance Name: Sun 8399
RN: 131112-58-8
InChIKey: ITTHDTFPCPHJOU-UHFFFAOYSA-N

Note

  • A serotonergic 5-HT1A-receptor agonist.

Molecular Formula

  • C21-H25-N5-O3

Molecular Weight

  • 395.461
 
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Names and Synonyms

Name of Substance

  • Sun 8399

Synonyms

  • 4-(4-(4-(2-Pyrimidinyl)piperazin-1-yl)butyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione
  • 4-(4-(4-(2-Pyrimidyl)-1-piperazinyl)butyl)-1,4-benzoxazepine-3,5(2H,4H)-dione
  • Sun-8399

Systematic Name

  • 1,4-Benzoxazepine-3,5(2H,4H)-dione, 4-(4-(4-(2-pyrimidyl)-1-piperazinyl)butyl)-

Registry Numbers

CAS Registry Number

  • 131112-58-8

System Generated Number

  • 0131112588

Structure Descriptors

InChI

1S/C21H25N5O3/c27-19-16-29-18-7-2-1-6-17(18)20(28)26(19)11-4-3-10-24-12-14-25(15-13-24)21-22-8-5-9-23-21/h1-2,5-9H,3-4,10-16H2

InChIKey

ITTHDTFPCPHJOU-UHFFFAOYSA-N

Smiles

O1CC(N(C(c2c1cccc2)=O)CCCCN1CCN(CC1)c1ncccn1)=O