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Substance Name: 1,2-Ethanediamine, N-(9,10-dihydro-2-methyl-4H-benzo(5,6)cyclohept(1,2-d)oxazol-4-yl)-N,N'-dimethyl-, (E)-2-butenedioate (1:1)
RN: 53924-81-5
InChIKey: UYCSGRBPYUTYOL-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N3-O.C4-H4-O4

Molecular Weight

  • 401.4603
 
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Names and Synonyms

  • 1,2-Ethanediamine, N-(9,10-dihydro-2-methyl-4H-benzo(5,6)cyclohept(1,2-d)oxazol-4-yl)-N,N'-dimethyl-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 53924-81-5

System Generated Number

  • 0053924815

Molecular Formulas

Molecular Formula

  • C17-H23-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C17-H23-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H23N3O.C4H4O4/c1-12-19-16-15(21-12)9-8-13-6-4-5-7-14(13)17(16)20(3)11-10-18-2;5-3(6)1-2-4(7)8/h4-7,17-18H,8-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

UYCSGRBPYUTYOL-WLHGVMLRSA-N

Smiles

Cc1nc2c(o1)CCc3ccccc3C2N(C)CCNC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 102mg/kg (102mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 1316, 1974.