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Substance Name: 19-(3-Azidophenyl)-20-norisocarbacyclin
RN: 140900-65-8
InChIKey: XKQBJDHJRVDQBU-DHLVSJIASA-N

Molecular Formula

  • C26-H35-N3-O4

Molecular Weight

  • 453.5795
 
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Names and Synonyms

Name of Substance

  • 19-(3-Azidophenyl)-20-norisocarbacyclin

Synonyms

  • (3H)Apnic
  • APNIC

Systematic Name

  • 2-Pentalenepentanoic acid, 6-(7-(3-azidopheneyl)-3-hydroxy-1-heptenyl)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-, (3aS-(3aalpha,5beta,6alpha(1E,3R*),6aalpha))-

Registry Numbers

CAS Registry Number

  • 140900-65-8

System Generated Number

  • 0140900658

Structure Descriptors

InChI

1S/C26H35N3O4/c27-29-28-21-9-5-8-18(15-21)6-1-3-10-22(30)12-13-23-24-16-19(7-2-4-11-26(32)33)14-20(24)17-25(23)31/h5,8-9,12-15,20,22-25,30-31H,1-4,6-7,10-11,16-17H2,(H,32,33)/b13-12+/t20-,22-,23+,24-,25+/m0/s1

InChIKey

XKQBJDHJRVDQBU-DHLVSJIASA-N

Smiles

c1cc(cc(c1)N=[N+]=[N-])CCCC[C@@H](/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=C3)CCCCC(=O)O)O)O