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Substance Name: Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1)
RN: 20801-65-4
InChIKey: RPFXSEKJAFWKIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H42-N6-O8.H2-O4-S

Molecular Weight

  • 784.84
 
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Names and Synonyms

Synonym

  • N-(Benzylamidino)-3,4,5-trimethoxybenzamide sulfate (2:1)

Systematic Name

  • Benzamide, N-(benzylamidino)-3,4,5-trimethoxy-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 20801-65-4

System Generated Number

  • 0020801654

Molecular Formulas

Molecular Formula

  • C36-H42-N6-O8.H2-O4-S

Molecular Formula Fragments

  • C36-H42-N6-O8
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C18H21N3O4.H2O4S/c2*1-23-14-9-13(10-15(24-2)16(14)25-3)17(22)21-18(19)20-11-12-7-5-4-6-8-12;1-5(2,3)4/h2*4-10H,11H2,1-3H3,(H3,19,20,21,22);(H2,1,2,3,4)

InChIKey

RPFXSEKJAFWKIL-UHFFFAOYSA-N

Smiles

C(=O)(NC(NCc1ccccc1)=N)c1cc(OC)c(OC)c(OC)c1.S(=O)(=O)(O)O.C(=O)(NC(NCc1ccccc1)=N)c1cc(OC)c(OC)c(OC)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 2, Pg. 432, 1968.