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Substance Name: Morpholinium, 4,4'-(3-alpha,17-beta-dihydroxy-5-alpha-androstan-2-alpha,16-alpha-ylene)bis(4-methyl-, diiodide, diacetate
RN: 50588-08-4
InChIKey: UFZLIEFNBRSAGY-UMXYBNMQSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H56-N2-O6.2I

Molecular Weight

  • 830.6134
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 50588-08-4

System Generated Number

  • 0050588084

Molecular Formulas

Molecular Formula

  • C33-H56-N2-O6.2I

Molecular Formula Fragments

  • C33-H56-N2-O6
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C33H56N2O6.2HI/c1-22(36)40-30-19-24-7-8-25-26(33(24,4)21-29(30)35(6)13-17-39-18-14-35)9-10-32(3)27(25)20-28(31(32)41-23(2)37)34(5)11-15-38-16-12-34;;/h24-31H,7-21H2,1-6H3;2*1H/q+2;;/p-2/t24-,25+,26-,27-,28-,29+,30-,31-,32-,33-;;/m0../s1

InChIKey

UFZLIEFNBRSAGY-UMXYBNMQSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3250ug/kg (3.25mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.