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Substance Name: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(3-methylaminopropyl)-, oxalate
RN: 57462-75-6
InChIKey: OXFIVVVRVHQCKA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-Cl-N2-O2.C2-H2-O4

Molecular Weight

  • 358.776
 
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Names and Synonyms

Synonym

  • 6-Chloro-2-methyl-4-(3-methylaminopropyl)-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-(3-methylaminopropyl)-, oxalate

Registry Numbers

CAS Registry Number

  • 57462-75-6

System Generated Number

  • 0057462756

Molecular Formulas

Molecular Formula

  • C13-H17-Cl-N2-O2.C2-H2-O4

Molecular Formula Fragments

  • C13-H17-Cl-N2-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17ClN2O2.C2H2O4/c1-9-13(17)16(7-3-6-15-2)11-8-10(14)4-5-12(11)18-9;3-1(4)2(5)6/h4-5,8-9,15H,3,6-7H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

OXFIVVVRVHQCKA-UHFFFAOYSA-N

Smiles

c12N(C([C@@H](C)Oc1ccc(Cl)c2)=O)CCC[NH2+]C.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 37, 1975.