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Substance Name: MDL 646
RN: 83656-28-4
InChIKey: IKYLGIKGFLQZBD-OVRPBERLSA-N

Molecular Weight

  • 398.536
 
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Names and Synonyms

Name of Substance

  • MDL 646

Synonyms

  • 15alpha,16(R),16-Methyl-16-methoxy-PGE1
  • 15alpha,16(R),16-Methyl-16-methoxy-prostaglandin E1

Systematic Name

  • Prost-13-en-1-oic acid, 11,15-dihydroxy-16-methoxy-16-methyl-9-oxo-, (11alpha,13E,15R,16R)-

Registry Numbers

CAS Registry Number

  • 83656-28-4

System Generated Number

  • 0083656284

Structure Descriptors

InChI

1S/C22H38O6/c1-4-5-14-22(2,28-3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h12-13,16-17,19-20,24-25H,4-11,14-15H2,1-3H3,(H,26,27)/b13-12+/t16-,17-,19-,20-,22-/m1/s1

InChIKey

IKYLGIKGFLQZBD-OVRPBERLSA-N

Smiles

C(CCCCCC[C@H]1C(C[C@H]([C@@H]1\C=C\[C@H]([C@](CCCC)(C)OC)O)O)=O)(=O)O