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Substance Name: Benzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-(1-methylethoxy)-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1)
RN: 125575-12-4
InChIKey: UMNXGRPRBVFMGA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H27-N3-O.C23-H16-O6

Molecular Weight

  • 665.7827
 
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Names and Synonyms

  • Benzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-(1-methylethoxy)-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1)

Registry Numbers

CAS Registry Number

  • 125575-12-4

System Generated Number

  • 0125575124

Molecular Formulas

Molecular Formula

  • C16-H27-N3-O.C23-H16-O6

Molecular Formula Fragments

  • C16-H27-N3-O
  • C23-H16-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C23H16O6.C16H27N3O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-5-19(6-2)12-11-18-16(17)14-7-9-15(10-8-14)20-13(3)4/h1-10,24-25H,11H2,(H,26,27)(H,28,29);7-10,13H,5-6,11-12H2,1-4H3,(H2,17,18)

InChIKey

UMNXGRPRBVFMGA-UHFFFAOYSA-N

Smiles

CCN(CC)CCNC(=N)c1ccc(cc1)OC(C)C.c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 427, 1989.