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Substance Name: Etamocycline [INN:DCF]
RN: 15590-00-8
UNII: 96D1L38S9Q
InChIKey: BZUKDLNEDCDORL-ULRSWZSCSA-N

Molecular Formula

  • C50-H60-N6-O16

Molecular Weight

  • 1001.05
 
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Names and Synonyms

Name of Substance

  • Etamocycline
  • Etamocycline [INN:DCF]

Synonyms

  • EINECS 239-653-3
  • Etamociclina
  • Etamociclina [INN-Spanish]
  • Etamocycline
  • Etamocyclinum
  • Etamocyclinum [INN-Latin]
  • N,N,-{Ethylenebis((methylimino)methylene)}bis-(4'-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide)
  • UNII-96D1L38S9Q

Systematic Names

  • 2-Naphthacenecarboxamide, N,N'-(1,2-ethanediylbis((methylimino)methylene))bis(4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S-(2(4R*,4aR*,5aR*,6R*,12aR*),4alpha,4aalpha,5aalpha,6beta,12aalpha))-
  • Etamocycline
  • N,N,- Ethylenebis((methylimino)methylene) bis-(4'-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide)

Registry Numbers

CAS Registry Number

  • 15590-00-8

FDA UNII

  • 96D1L38S9Q

System Generated Number

  • 0015590008

Structure Descriptors

InChI

1S/C50H60N6O16/c1-47(69)21-11-9-13-27(57)29(21)37(59)31-23(47)17-25-35(53(3)4)39(61)33(43(65)49(25,71)41(31)63)45(67)51-19-55(7)15-16-56(8)20-52-46(68)34-40(62)36(54(5)6)26-18-24-32(42(64)50(26,72)44(34)66)38(60)30-22(48(24,2)70)12-10-14-28(30)58/h9-14,23-26,35-36,57-58,61-64,69-72H,15-20H2,1-8H3,(H,51,67)(H,52,68)/t23-,24-,25-,26-,35-,36-,47+,48+,49-,50-/m0/s1

InChIKey

BZUKDLNEDCDORL-ULRSWZSCSA-N

Smiles

c1c(c2c([C@@]([C@@H]3C(C2=O)=C(O)[C@@]2(O)[C@@H](C3)[C@H](N(C)C)C(=C(C(NC[N@@](CC[N@@](CNC(C=3C([C@@]4(C(=C5C(c6c(cccc6[C@@]([C@H]5C[C@H]4[C@@H](C3O)N(C)C)(C)O)O)=O)O)O)=O)=O)C)C)=O)C2=O)O)(C)O)cc1)O