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Substance Name: Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, compd. with N-(2-hydroxyethyl)-N-methylguqnidine (1:1)
RN: 77754-97-3
InChIKey: YNNOZIIJSDJTJI-BEXXLDLDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N2-O3.C4-H11-N3-O

Molecular Weight

  • 455.5557
 
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Names and Synonyms

Synonyms

  • Tetrahydroalstonate de creatinol
  • Tetrahydroalstonate de creatinol [French]

Systematic Name

  • Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, compd. with N-(2-hydroxyethyl)-N-methylguqnidine (1:1)

Registry Numbers

CAS Registry Number

  • 77754-97-3

System Generated Number

  • 0077754973

Molecular Formulas

Molecular Formula

  • C20-H22-N2-O3.C4-H11-N3-O

Molecular Formula Fragments

  • C20-H22-N2-O3
  • C4-H11-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22N2O3.C4H11N3O/c1-11-15-9-22-7-6-13-12-4-2-3-5-17(12)21-19(13)18(22)8-14(15)16(10-25-11)20(23)24;1-7(2-3-8)4(5)6/h2-5,10-11,14-15,18,21H,6-9H2,1H3,(H,23,24);8H,2-3H2,1H3,(H3,5,6)/t11-,14-,15-,18-;/m0./s1

InChIKey

YNNOZIIJSDJTJI-BEXXLDLDSA-N

Smiles

C[C@H]1[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)O.CN(CCO)C(=N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 450mg/kg (450mg/kg)   European Patent Application. Vol. #0017525,
mouse LD50 oral > 500mg/kg (500mg/kg)   European Patent Application. Vol. #0017525,
rat LD50 parenteral > 100mg/kg (100mg/kg)   European Patent Application. Vol. #0017525,