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Substance Name: 9-N-(1-Propyl)erythromyclamine
RN: 119904-03-9
UNII: B83RU5KE3D
InChIKey: JDBGPLZPTBGQMX-PNSWQVPASA-N

Molecular Formula

  • C40-H76-N2-O12

Molecular Weight

  • 777.0424
 
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Names and Synonyms

Name of Substance

  • 9-N-(1-Propyl)erythromyclamine

Synonyms

  • 9-Deoxy-9-(propylamino)erythromycin
  • 9-N-(1-Propyl)erythromyclamine
  • LY-281389
  • UNII-B83RU5KE3D

Systematic Name

  • Erythromycin, 9-deoxy-9-(propylamino)-

Registry Numbers

CAS Registry Number

  • 119904-03-9

FDA UNII

  • B83RU5KE3D

System Generated Number

  • 0119904039

Structure Descriptors

InChI

1S/C40H76N2O12/c1-15-17-41-30-21(3)19-38(9,47)35(54-37-31(43)27(42(12)13)18-22(4)50-37)24(6)32(53-29-20-39(10,49-14)34(45)26(8)51-29)25(7)36(46)52-28(16-2)40(11,48)33(44)23(30)5/h21-35,37,41,43-45,47-48H,15-20H2,1-14H3/t21-,22-,23+,24+,25-,26+,27+,28-,29+,30+,31-,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1

InChIKey

JDBGPLZPTBGQMX-PNSWQVPASA-N

Smiles

CCCN[C@H]1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C