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Substance Name: Limaprost alfadex
RN: 88852-12-4
InChIKey: AURWGUVCKQSRJX-UYCJUBBXSA-N

Note

  • Oral drug for the circulatory system (for confinement-related thromboangiitis ulcer, sharp pain, anaphrodisia and ischemia characteristics symptom, the improvement of subjective symptom and walking ability with postnatal lumbar spinal canal stenosis).

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H60-O30.x-C22-H36-O5

Molecular Weight

  • 1339.33
 
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Names and Synonyms

Results Name

  • Limaprost alfadex

Synonyms

  • (E)-7-((1R,2R,3R)-3-Hydroxy-2-((E)-(3S,5S)-3-hydroxy-5-methyl-1-nonenyl)-5-oxocyclopentyl)-2-heptenoic acid
  • 17S,20-Dimethyl-trans-delta2-PGE1 compd. with alpha-cyclodextrin
  • 2,4,7,9,12,14,17,19,22,24,27,29-Dodecaoxaheptacyclo(26.2.2.23,6.28,11.213,16.218,21.223,26)detetracontane, alpha-cyclodextrin deriv.
  • 2-Heptenoic acd, 7-((1R,2R,3R)-3-hydroxy-2-((1E,3S,5S)-3-hydroxy-5-methyl-1-nonenyl)-5-oxocyclopentyl)-, (2E)-, compd. with alpha-cyclodextrin
  • alpha-Cyclodextrin, compd. with (2E,11alpha,13E,15S,17S)-11,15-dihydroxy-17,20-dimethyl-9-oxoprosta-2,13-dien-1-oic acid
  • Limaprost alfadex
  • OP 1306 - alpha-cyclodextrin
  • Opalmon
  • Prorenal

Systematic Names

  • (E)-7-((1R,2R,3R)-3-Hydroxy-2-((E)-(3S,5S)-3-hydroxy-5-methyl-1-nonenyl)-5-oxocyclopentyl)-2-heptenoic acid
  • alpha-Cyclodextrin, compd. with (2E)-7-((1R,2R,3R)-3-hydroxy-2-((1E,3S,5S)-3-hydroxy-5-methyl-1-nonenyl)-5-oxocyclopentyl)-2-heptenoic acid
  • Prosta-2,13-dien-1-oic acid, 11,15-dihydroxy-17,20-dimethyl-9-oxo-, (2E,11alpha,13E,15S,17S)-, compd with alpha-cyclodextrin

Registry Numbers

CAS Registry Number

  • 88852-12-4

Other Registry Number

  • 114868-77-8

System Generated Number

  • 0088852124

Molecular Formulas

Molecular Formula

  • C36-H60-O30.x-C22-H36-O5

Molecular Formula Fragments

  • C22-H36-O5
  • C36-H60-O30
  • COMPONENT

Structure Descriptors

InChI

1S/C36H60O30.C21H34O5/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44;1-3-4-8-15(2)13-16(22)11-12-18-17(19(23)14-20(18)24)9-6-5-7-10-21(25)26/h7-54H,1-6H2;7,10-12,15-18,20,22,24H,3-6,8-9,13-14H2,1-2H3,(H,25,26)/b;10-7-,12-11+/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-;15-,16+,17+,18+,20+/m10/s1

InChIKey

AURWGUVCKQSRJX-UYCJUBBXSA-N

Smiles

O1[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]2O[C@@H]([C@@H](O[C@@H]3[C@H](O)[C@H]([C@H](O[C@@H]4[C@H](O)[C@H]([C@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@@H]([C@@H]1[C@@H]([C@H]6O)O)CO)[C@@H](O)[C@H]5O)[C@H](O4)CO)O)[C@H](O3)CO)O)[C@@H](O)[C@H]2O)CO)O)O.C(=C/C(O)=O)\CCC[C@@H]1[C@H]([C@H](O)CC1=O)\C=C\[C@@H](O)C[C@@H](C)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LD50 oral 10mg/kg (10mg/kg)   Drugs in Japan Vol. -, Pg. 981, 1990.
mouse LD50 intravenous 21600ug/kg (21.6mg/kg)   Drugs in Japan Vol. -, Pg. 1256, 1990.
mouse LD50 oral 19700ug/kg (19.7mg/kg)   Drugs in Japan Vol. -, Pg. 1256, 1990.
mouse LD50 subcutaneous 17600ug/kg (17.6mg/kg)   Drugs in Japan Vol. -, Pg. 1256, 1990.
rat LD50 intravenous 9500ug/kg (9.5mg/kg)   Drugs in Japan Vol. -, Pg. 1256, 1990.
rat LD50 oral 19mg/kg (19mg/kg)   Drugs in Japan Vol. -, Pg. 981, 1990.
rat LD50 subcutaneous 2310ug/kg (2.31mg/kg)   Drugs in Japan Vol. -, Pg. 1256, 1990.