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Substance Name: 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate
RN: 57000-32-5
InChIKey: HKTWCBXIDJDYAU-UHFFFAOYSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-N3-O.H-N-O3

Molecular Weight

  • 292.293
 
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Names and Synonyms

Synonyms

  • 3-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-1H-indole mononitrate
  • 3-(Imidazoline-2'-methyl)-5-methoxyindole nitrate

Systematic Name

  • 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate

Registry Numbers

CAS Registry Number

  • 57000-32-5

System Generated Number

  • 0057000325

Molecular Formulas

Molecular Formula

  • C13-H15-N3-O.H-N-O3

Molecular Formula Fragments

  • C13-H15-N3-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C13H15N3O.NO3/c1-17-10-2-3-12-11(7-10)9(8-16-12)6-13-14-4-5-15-13;2-1(3)4/h2-3,7-8,16H,4-6H2,1H3,(H,14,15);/q;-1/p+1

InChIKey

HKTWCBXIDJDYAU-UHFFFAOYSA-O

Smiles

c12c(c[nH]c1ccc(c2)OC)CC1=NCC[NH+]1.[N+](=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 34, Pg. 527, 1977.