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Substance Name: Antipyrine, 4-(4-(3-methyl-2-phenylmorpholino)methyl)-, gentisate
ID: CD29961000
InChIKey: OAZJUYSBMMOEFC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N3-O2.C7-H6-O4

Molecular Weight

  • 531.6057
 
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Names and Synonyms

Synonyms

  • 4-(4-(3-Methyl-2-phenylmorpholino)methyl)antipyrine gentisate
  • R-445-G

Systematic Name

  • Antipyrine, 4-(4-(3-methyl-2-phenylmorpholino)methyl)-, gentisate

Registry Numbers

ID Number

  • NIOSH/CD2996100

System Generated Number

  • CD29961000

Molecular Formulas

Molecular Formula

  • C23-H27-N3-O2.C7-H6-O4

Molecular Formula Fragments

  • C23-H27-N3-O2
  • C7-H6-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27N3O2.C7H6O4/c1-17-21(23(27)26(24(17)3)20-12-8-5-9-13-20)16-25-14-15-28-22(18(25)2)19-10-6-4-7-11-19;8-4-1-2-6(9)5(3-4)7(10)11/h4-13,18,22H,14-16H2,1-3H3;1-3,8-9H,(H,10,11)

InChIKey

OAZJUYSBMMOEFC-UHFFFAOYSA-N

Smiles

CC1C(OCCN1CC2=C(C)N(C)N(C2=O)c3ccccc3)c4ccccc4.OC(=O)c5cc(O)ccc5O