Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cymarin
RN: 508-77-0
UNII: UK3LS8435E
InChIKey: XQCGNURMLWFQJR-ZNDDOCHDSA-N

Note

  • A cardiotonic cardiac glycoside found in STROPHANTHUS. The aglycone is STROPHANTHIN.

Molecular Formula

  • C30-H44-O9

Molecular Weight

  • 548.6686
 

Classification Codes

  • Anti-Arrhythmia Agents
  • Cardiotonic Agents
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Natural Product
  • Protective Agents
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Cymarin
  • Cymarine

MeSH Heading

  • Cymarine

Synonyms

  • 5-18-05-00129 (Beilstein Handbook Reference)
  • 5-beta-Card-20(22)-enolide, 3-beta-(beta-D-cymarosyloxy)-5,14-dihydroxy-19-oxo-
  • Alvonal MR
  • BRN 0101370
  • Cymarine
  • EINECS 208-087-9
  • k-Strophanthin-alpha
  • NSC 7522
  • Strofantidina cimaroside
  • Strofantidina cimaroside [Italian]
  • Strophanthidin-D-cymarosid
  • Strophanthidin-D-cymarosid [German]
  • Stropheantin K
  • UNII-UK3LS8435E
  • WV 90043a

Systematic Names

  • Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)- (9CI)
  • Cymarin
  • Cymarin (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 508-77-0

FDA UNII

  • UK3LS8435E

Other Registry Numbers

  • 1367-21-1
  • 27214-79-5
  • 80683-29-0
  • 88195-73-7

System Generated Number

  • 0000508770

Structure Descriptors

InChI

1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1

InChIKey

XQCGNURMLWFQJR-ZNDDOCHDSA-N

Smiles

CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 95ug/kg (0.095mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 74, Pg. 223, 1942.
cat LD50 parenteral 110ug/kg (0.11mg/kg)   Bollettino Chimico Farmaceutico. Vol. 98, Pg. 297, 1959.
cat LDLo unreported 110ug/kg (0.11mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 148, Pg. 471, 1964.
mouse LD50 intracrebral 41ug/kg (0.041mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 908, 1961.
mouse LD50 intraperitoneal 12mg/kg (12mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 155, Pg. 165, 1965.
mouse LD50 intravenous 2800ug/kg (2.8mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 908, 1961.
rat LD50 intravenous 20mg/kg (20mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 155, Pg. 165, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 148 deg C   EXP
log P (octanol-water) 0.64 (none)   EXP
Water Solubility 98.7 mg/L 25 EST
Vapor Pressure 2.50E-20 mm Hg 25 EST
Henry's Law Constant 2.20E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.72E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.