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Substance Name: Morpholinium, 4,4'-(3-alpha,17-alpha-dihydroxy-5-alpha-androstan-2-beta,16-beta-ylene)bis(4-methyl-, diiodide
RN: 50588-06-2
InChIKey: OQPHOXDWOKMSDB-QJZYIDKMSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H52-N2-O4.2I

Molecular Weight

  • 746.5398
 
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Names and Synonyms

  • Morpholinium, 4,4'-(3-alpha,17-alpha-dihydroxy-5-alpha-androstan-2-beta,16-beta-ylene)bis(4-methyl-, diiodide

Registry Numbers

CAS Registry Number

  • 50588-06-2

System Generated Number

  • 0050588062

Molecular Formulas

Molecular Formula

  • C29-H52-N2-O4.2I

Molecular Formula Fragments

  • C29-H52-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C29H52N2O4.2HI/c1-28-8-7-22-21(23(28)18-24(27(28)33)30(3)9-13-34-14-10-30)6-5-20-17-26(32)25(19-29(20,22)2)31(4)11-15-35-16-12-31;;/h20-27,32-33H,5-19H2,1-4H3;2*1H/q+2;;/p-2/t20-,21+,22-,23-,24?,25?,26-,27+,28-,29-;;/m0../s1

InChIKey

OQPHOXDWOKMSDB-QJZYIDKMSA-L

Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1CC([C@H]2O)[N+]4(CCOCC4)C)CC[C@@H]5[C@@]3(CC([C@H](C5)O)[N+]6(CCOCC6)C)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3mg/kg (3mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.