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Substance Name: Ciprostene calcium [USAN]
RN: 81703-55-1
UNII: A85Y5Y98EJ
InChIKey: NJTMVDAFPIEZAJ-BMKVUGPNSA-L

Classification Codes

  • Drug / Therapeutic Agent
  • Platelet Aggregation Inhibitor
  • Platelet Aggregation Inhibitors

Molecular Formula

  • C44-H70-O8.Ca

Molecular Weight

  • 767.107
 
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Names and Synonyms

Name of Substance

  • Ciprostene calcium [USAN]

Synonyms

  • 9-beta-Methylcarbacyclin
  • Calcium (Z)-(3aS,5R,6R,6aR)-hexahydro-5-hydroxy-6-((E)-(3S)-3-hydroxy-1-octenyl)-3a-methyl-delta(sup 2)(1H),delta-pentalenevalerate (1:2)
  • Ciprostene calcium
  • Pentanoic acid, 5-(hexahydro-5-hydroxy-6-(3-hydroxy-1-octenyl)-3a-methyl-2(1H)-pentalenylidene, calcium salt (2:1),(3aS-(2Z,3aalpha,5beta,6alpha(1E,3R*),6aalpha))-
  • U 61431F
  • U-61,431F
  • UNII-A85Y5Y98EJ

Systematic Name

  • Pentanoic acid, 5-(hexahydro-5-hydroxy-6-(3-hydroxy-1-octenyl)-3a-methyl-2(1H)-pentalenylidene)-, calcium salt (2:1), (3aS-(2Z,3aalpha,5beta,6alpha(1E,3R*),6aalpha))-

Registry Numbers

CAS Registry Number

  • 81703-55-1

FDA UNII

  • A85Y5Y98EJ

System Generated Number

  • 0081703551

Molecular Formulas

Molecular Formula

  • C44-H70-O8.Ca

Molecular Formula Fragments

  • C44-H70-O8
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C22H36O4.Ca/c2*1-3-4-5-9-17(23)11-12-18-19-13-16(8-6-7-10-21(25)26)14-22(19,2)15-20(18)24;/h2*8,11-12,17-20,23-24H,3-7,9-10,13-15H2,1-2H3,(H,25,26);/q;;+2/p-2/b2*12-11+,16-8-;/t2*17-,18+,19+,20+,22-;/m00./s1

InChIKey

NJTMVDAFPIEZAJ-BMKVUGPNSA-L

Smiles

[Ca+2].CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@]2(C)C\C(=C/CCCC(=O)[O-])\C[C@H]12.CCCCC[C@H](O)\C=C\[C@H]3[C@H](O)C[C@]4(C)C\C(=C/CCCC(=O)[O-])\C[C@H]34

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 48800ug/kg (48.8mg/kg)   Cardiovascular Drug Reviews. Vol. 10, Pg. 233, 1992.
rat LD50 intravenous 30200ug/kg (30.2mg/kg)   Cardiovascular Drug Reviews. Vol. 10, Pg. 233, 1992.