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Substance Name: 3-(1-(4-Aminophenyl)-3-oxobutyl)-4-hydroxy-2H-1-benzopyran-2-one
RN: 47331-24-8
InChIKey: JPJSKGVANBMKSC-UHFFFAOYSA-N

Note

  • Acenocoumarin amino metabolite.

Molecular Formula

  • C19-H17-N-O4

Molecular Weight

  • 323.3463
 
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Names and Synonyms

Name of Substance

  • 3-(1-(4-Aminophenyl)-3-oxobutyl)-4-hydroxy-2H-1-benzopyran-2-one

Synonym

  • 4'-Aminowarfarin

Systematic Name

  • 2H-1-Benzopyran-2-one, 3-(1-(4-aminophenyl)-3-oxobutyl)-4-hydroxy-

Registry Numbers

CAS Registry Number

  • 47331-24-8

System Generated Number

  • 0047331248

Structure Descriptors

InChI

1S/C19H17NO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10,20H2,1H3

InChIKey

JPJSKGVANBMKSC-UHFFFAOYSA-N

Smiles

CC(=O)CC(c1ccc(cc1)N)c2c(c3ccccc3oc2=O)O