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Substance Name: Pecocycline [INN]
RN: 15301-82-3
UNII: 0CG6O25ZC4
InChIKey: LYOHRYSQMOWAQT-OSCKIKFWSA-N

Molecular Formula

  • C29-H35-N3-O10

Molecular Weight

  • 585.6065
 
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Names and Synonyms

Name of Substance

  • Pecocycline [INN]

Synonyms

  • N-((4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacene carboxamido)methyl)nipecotic acid
  • Pecocycline
  • UNII-0CG6O25ZC4

Systematic Name

  • N-((4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacene carboxamido)-methyl)nipecotic acid

Registry Numbers

CAS Registry Number

  • 15301-82-3

FDA UNII

  • 0CG6O25ZC4

System Generated Number

  • 0015301823

Structure Descriptors

InChI

1S/C29H35N3O10/c1-28(41)14-7-4-8-17(33)18(14)22(34)19-15(28)10-16-21(31(2)3)23(35)20(25(37)29(16,42)24(19)36)26(38)30-12-32-9-5-6-13(11-32)27(39)40/h4,7-8,13,15-16,21,33,35-36,41-42H,5-6,9-12H2,1-3H3,(H,30,38)(H,39,40)/t13?,15-,16-,21-,28+,29-/m0/s1

InChIKey

LYOHRYSQMOWAQT-OSCKIKFWSA-N

Smiles

C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)NCN5CCCC(C5)C(=O)O)O)N(C)C)O)O)O)O