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Substance Name: beta-Escin
RN: 11072-93-8
InChIKey: AXNVHPCVMSNXNP-ZELRDNAQSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C55-H86-O24

Molecular Weight

  • 1131.2604
 
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Names and Synonyms

Name of Substance

  • beta-Escin

Synonyms

  • beta Escin
  • beta-Aescin
  • beta-Aescinu
  • beta-Aescinu [Czech]
  • beta-Aescusan
  • beta-Escin
  • beta-Reparil
  • Flogencyl

Systematic Name

  • beta-Escin

Registry Numbers

CAS Registry Number

  • 11072-93-8

System Generated Number

  • 0011072938

Structure Descriptors

InChI

1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26?,27-,28-,29?,30?,31-,32+,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43+,44+,47+,48+,49-,51+,52-,53-,54-,55+/m1/s1

InChIKey

AXNVHPCVMSNXNP-ZELRDNAQSA-N

Smiles

[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]1CC[C@@]2(C3CC=C4C5CC([C@@H](OC(=O)/C(=C\C)C)[C@H](OC(=O)C)[C@@]5([C@@H](C[C@]4([C@@]3(CCC2[C@@]1(C)CO)C)C)O)CO)(C)C)C)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 1mg/kg (1mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 209, 1970.
guinea pig LD50 intravenous 7200ug/kg (7.2mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: MUSCLE WEAKNESS
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 209, 1970.
guinea pig LD50 oral 188mg/kg (188mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: MUSCLE WEAKNESS
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 209, 1970.
mouse LD50 intraperitoneal 3200ug/kg (3.2mg/kg)   United States Patent Document. Vol. #4146615,
mouse LD50 intravenous 1400ug/kg (1.4mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 209, 1970.
mouse LD50 oral 134mg/kg (134mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 209, 1970.
mouse LD50 oral 134mg/kg (134mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: MUSCLE WEAKNESS
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 209, 1970.
rabbit LD50 intravenous 3600ug/kg (3.6mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 209, 1970.
rabbit LD50 intravenous 3600ug/kg (3.6mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 209, 1970.
rat LD50 intraperitoneal 11mg/kg (11mg/kg)   United States Patent Document. Vol. #4146615,
rat LD50 intravenous 2mg/kg (2mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: MUSCLE WEAKNESS
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 209, 1970.
rat LD50 oral 400mg/kg (400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 209, 1970.
rat LD50 oral 400mg/kg (400mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: MUSCLE WEAKNESS
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 209, 1970.