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Substance Name: Guanidine, (3-phenylpropoxy)-, mononitrate (9CI)
RN: 836-73-7
InChIKey: DGETYXVFFJLUNY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-N3-O.H-N-O3

Molecular Weight

  • 256.26
 
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Names and Synonyms

Synonyms

  • (3-Phenylpropoxy)guanidine mononitrate
  • (3-Phenylpropoxy)guanidine nitrate

Systematic Names

  • Guanidine, (3-phenylpropoxy)-, mononitrate (9CI)
  • Guanidine, (3-phenylpropoxy)-, nitrate

Registry Numbers

CAS Registry Number

  • 836-73-7

System Generated Number

  • 0000836737

Molecular Formulas

Molecular Formula

  • C10-H15-N3-O.H-N-O3

Molecular Formula Fragments

  • C10-H15-N3-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C10H15N3O.HNO3/c11-10(12)13-14-8-4-7-9-5-2-1-3-6-9;2-1(3)4/h1-3,5-6H,4,7-8H2,(H4,11,12,13);(H,2,3,4)

InChIKey

DGETYXVFFJLUNY-UHFFFAOYSA-N

Smiles

c1(CCCONC(N)=N)ccccc1.[N+](O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal Chemistry. Vol. 8, Pg. 456, 1965.