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Substance Name: Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide
RN: 61646-17-1
InChIKey: CPFFNJHDKASHLH-YBZGWEFGSA-M

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data

Molecular Formula

  • C39-H46-N2-O6.2I

Molecular Weight

  • 892.6004
 
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Names and Synonyms

Synonyms

  • 12'-Hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-oxyacanthanium diodide
  • N-Methyloxyacanthine diiodide
  • Oxyacanthine dimethiodide

Systematic Name

  • Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide

Registry Numbers

CAS Registry Number

  • 61646-17-1

System Generated Number

  • 0061646171

Molecular Formulas

Molecular Formula

  • C39-H46-N2-O6.2I

Molecular Formula Fragments

  • C39-H46-N2-O6
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C39H45N2O6.2HI/c1-40(2)16-14-26-21-34(43-5)35-23-29(26)30(40)19-25-10-13-32(42)33(20-25)46-28-11-8-24(9-12-28)18-31-37-27(15-17-41(31,3)4)22-36(44-6)38(45-7)39(37)47-35;;/h8-13,20-23,30-31H,14-19H2,1-7H3;2*1H/q+1;;/p-1/t30-,31-;;/m0../s1

InChIKey

CPFFNJHDKASHLH-YBZGWEFGSA-M

Smiles

C[N+]1(CCc2cc(c3cc2[C@@H]1Cc4ccc(c(c4)Oc5ccc(cc5)C[C@H]6c7c(cc(c(c7O3)OC)OC)CC[N+]6(C)C)O)OC)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo intravenous 320ug/kg (0.32mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Journal of Pharmacology and Experimental Therapeutics. Vol. 95, Pg. 100, 1949.
mouse LD50 intraperitoneal 9mg/kg (9mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 2413, 1976.
rat LD50 intraperitoneal 600ug/kg (0.6mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Journal of Pharmacology and Experimental Therapeutics. Vol. 95, Pg. 100, 1949.
rat LD50 intravenous 330ug/kg (0.33mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Journal of Pharmacology and Experimental Therapeutics. Vol. 95, Pg. 100, 1949.