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Substance Name: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-(1-pyrrolidinyl)propyl)-, oxalate
RN: 57462-90-5
InChIKey: AAVUTVAWYYKIJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-Cl-N2-O2.C2-H2-O4

Molecular Weight

  • 398.841
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 57462-90-5

System Generated Number

  • 0057462905

Molecular Formulas

Molecular Formula

  • C16-H21-Cl-N2-O2.C2-H2-O4

Molecular Formula Fragments

  • C16-H21-Cl-N2-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21ClN2O2.C2H2O4/c1-11(18-7-3-4-8-18)10-19-14-9-13(17)5-6-15(14)21-12(2)16(19)20;3-1(4)2(5)6/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

AAVUTVAWYYKIJW-UHFFFAOYSA-N

Smiles

c12N(C[C@@H]([NH+]3CCCC3)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 300mg/kg (300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 37, 1975.