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Substance Name: Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, compd. with 2-aminoethanol (1:1)
RN: 77754-96-2
InChIKey: SPGGZGIRJNEIIO-BEXXLDLDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N2-O3.C2-H7-N-O

Molecular Weight

  • 399.4881
 
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Names and Synonyms

Synonyms

  • Tetrahydroalstonate d'aminoethanol
  • Tetrahydroalstonate d'aminoethanol [French]

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77754-96-2

System Generated Number

  • 0077754962

Molecular Formulas

Molecular Formula

  • C20-H22-N2-O3.C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C20-H22-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22N2O3.C2H7NO/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;3-1-2-4/h2-5,10-11,14-15,18,21H,6-9H2,1H3,(H,23,24);4H,1-3H2/t11-,14-,15-,18-;/m0./s1

InChIKey

SPGGZGIRJNEIIO-BEXXLDLDSA-N

Smiles

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

Toxicity

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