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Substance Name: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-piperidinopropyl)-, oxalate
RN: 57462-94-9
InChIKey: FFQQUEKNQFABKI-UHFFFAOYSA-N

Molecular Formula

  • C17-H23-Cl-N2-O2.C2-H2-O4

Molecular Weight

  • 412.867
 
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Names and Synonyms

Synonym

  • 6-Chloro-2-methyl-4-(2-piperidinopropyl)-2,3-dihydro-4H-1,4-benzoxazin-3-one oxalate

Systematic Name

  • 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-piperidinopropyl)-, oxalate

Registry Numbers

CAS Registry Number

  • 57462-94-9

System Generated Number

  • 0057462949

Molecular Formulas

Molecular Formula

  • C17-H23-Cl-N2-O2.C2-H2-O4

Molecular Formula Fragments

  • C17-H23-Cl-N2-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H23ClN2O2.C2H2O4/c1-12(19-8-4-3-5-9-19)11-20-15-10-14(18)6-7-16(15)22-13(2)17(20)21;3-1(4)2(5)6/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

FFQQUEKNQFABKI-UHFFFAOYSA-N

Smiles

c12N(C[C@@H]([NH+]3CCCCC3)C)C([C@@H](C)Oc1ccc(Cl)c2)=O.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 700mg/kg (700mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 37, 1975.