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Substance Name: Guanidine, N-(cyclohexylmethyl)-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolyl-, dinitrate
RN: 71079-60-2
InChIKey: IDVVFVIRUWKLTK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N5-S.2H-N-O3

Molecular Weight

  • 505.5533
 
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Names and Synonyms

Synonyms

  • Guanidine, 1-(cyclohexylmethyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
  • N-(Cyclohexylmethyl)-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolylguanidine dinitrate

Systematic Name

  • Guanidine, N-(cyclohexylmethyl)-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolyl-, dinitrate

Registry Numbers

CAS Registry Number

  • 71079-60-2

System Generated Number

  • 0071079602

Molecular Formulas

Molecular Formula

  • C21-H25-N5-S.2H-N-O3

Molecular Formula Fragments

  • C21-H25-N5-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C21H25N5S.2HNO3/c1-15-13-19(17-9-5-6-10-18(17)24-15)25-20(26-21-22-11-12-27-21)23-14-16-7-3-2-4-8-16;2*2-1(3)4/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H2,22,23,24,25,26);2*(H,2,3,4)

InChIKey

IDVVFVIRUWKLTK-UHFFFAOYSA-N

Smiles

Cc1cc(c2ccccc2n1)N/C(=N\c3nccs3)/NCC4CCCCC4.[N+](=O)(O)[O-].[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 13, 1980.