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Substance Name: IBD-78 acetate, (E)-
RN: 5188-77-2
UNII: QC1U7D4U4J
InChIKey: LGRYUIUQCWDBHC-HAZZGOGXSA-N

Molecular Formula

  • C17-H19-N-S.C2-H4-O2

Molecular Weight

  • 329.4617
 
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Names and Synonyms

Name of Substance

  • IBD-78 acetate, (E)-

Synonyms

  • 4H-Benzo(4,5)cyclohepta(1,2-b)thiophene-delta4,gamma-propylamine, 9,10-dihydro-N-methyl-, acetate, (E)-
  • IBD-78 acetate, (E)-
  • UNII-QC1U7D4U4J

Registry Numbers

CAS Registry Number

  • 5188-77-2

FDA UNII

  • QC1U7D4U4J

System Generated Number

  • 0005188772

Structure Descriptors

InChI

1S/C17H19NS.C2H4O2/c1-18-11-4-7-15-14-6-3-2-5-13(14)8-9-17-16(15)10-12-19-17;1-2(3)4/h2-3,5-7,10,12,18H,4,8-9,11H2,1H3;1H3,(H,3,4)/b15-7+;

InChIKey

LGRYUIUQCWDBHC-HAZZGOGXSA-N

Smiles

CNCC\C=C\1/c2ccccc2CCc3sccc13.CC(=O)O