Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Escin, sodium salt
RN: 20977-05-3
InChIKey: OJTQULAMLNBGOY-RRKCPRGASA-N

Note

  • Pentacyclic triterpene saponins, biosynthesized from protoaescigenin and barringtogenol, occurring in the seeds of AESCULUS. It inhibits edema formation and decreases vascular fragility.

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C55-H85-O24.Na

Molecular Weight

  • 1124.2246
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Escin, sodium salt

Synonyms

  • A-4760
  • Aescin sodium salt
  • Aescusan sodium salt
  • EINECS 244-133-4
  • Escin, sodium salt
  • Na-Aescinat
  • Sodium aescinate

Systematic Names

  • Escin, monosodium salt
  • Escin, sodium salt

Registry Numbers

CAS Registry Number

  • 20977-05-3

Other Registry Numbers

  • 11072-95-0
  • 53028-06-1
  • 55125-86-5

System Generated Number

  • 0020977053

Molecular Formulas

Molecular Formula

  • C55-H85-O24.Na

Molecular Formula Fragments

  • C55-H85-O24
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C54H84O23.Na/c1-22(23(2)71-24(3)57)45(68)70-21-54-26-16-49(4,5)43(42(54)65)73-32(54)17-53(9)25(26)10-11-30-50(6)14-13-31(51(7,20-56)29(50)12-15-52(30,53)8)74-48-40(76-46-36(62)33(59)27(58)19-69-46)38(64)39(41(77-48)44(66)67)75-47-37(63)35(61)34(60)28(18-55)72-47;/h10,22-23,26-43,46-48,55-56,58-65H,11-21H2,1-9H3,(H,66,67);/q;+1/t22?,23?,26?,27-,28-,29?,30?,31?,32-,33+,34-,35+,36-,37-,38+,39+,40-,41+,42?,43-,46+,47-,48-,50?,51-,52?,53-,54?;/m1./s1

InChIKey

OJTQULAMLNBGOY-RRKCPRGASA-N

Smiles

CC(C(C)OC(=O)C)C(=O)OCC12[C@H]3C[C@@]4(C(=CCC5C4(CCC6C5(CCC([C@]6(C)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)C)C)C1CC([C@@H](C2O)O3)(C)C)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 9130ug/kg (9.13mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 263, 1960.
mouse LD50 intraperitoneal 8299ug/kg (8.299mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 114, 1974.
mouse LD50 intravenous 4730mg/kg (4730mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 22, Pg. 87, 1987.
mouse LD50 oral 134mg/kg (134mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 22, Pg. 87, 1987.
mouse LD50 subcutaneous 92530ug/kg (92.53mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 114, 1974.
rabbit LD50 intravenous 5mg/kg (5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 263, 1960.
rat LD50 intraperitoneal 9180ug/kg (9.18mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 114, 1974.
rat LD50 intravenous 8131ug/kg (8.131mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 114, 1974.
rat LD50 oral 400mg/kg (400mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 22, Pg. 87, 1987.
rat LD50 subcutaneous 131mg/kg (131mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 114, 1974.