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Substance Name: Penimocycline [INN:DCF]
RN: 16259-34-0
UNII: 2176O1M292
InChIKey: ZVVMCQBZCQRRME-YABKDXSZSA-N

Note

  • Obtained by Mannich reaction between tetracycline & ampicillin.

Molecular Formula

  • C39-H43-N5-O12-S

Molecular Weight

  • 805.8577
 
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Names and Synonyms

Name of Substance

  • Penimocycline
  • Penimocycline [INN:DCF]

Synonyms

  • 6-(2-(((4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido)methyl)amino)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • EINECS 240-365-5
  • Penimociclina
  • Penimociclina [INN-Spanish]
  • Penimocycline
  • Penimocyclinum
  • Penimocyclinum [INN-Latin]
  • UNII-2176O1M292

Systematic Names

  • 6-(((((((4-(Dimethylamino)-1,4alpha,4aalpha,5,5aalpha,6beta,11,12aalpha-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenyl)carbonyl)amino)methyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 6-(2-(((4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido)methyl)amino)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • Penimocycline

Registry Numbers

CAS Registry Number

  • 16259-34-0

FDA UNII

  • 2176O1M292

System Generated Number

  • 0016259340

Structure Descriptors

InChI

1S/C39H43N5O12S/c1-37(2)29(36(53)54)44-34(52)25(35(44)57-37)42-33(51)24(16-10-7-6-8-11-16)40-15-41-32(50)23-28(47)26(43(4)5)19-14-18-22(30(48)39(19,56)31(23)49)27(46)21-17(38(18,3)55)12-9-13-20(21)45/h6-13,18-19,24-26,29,35,40,45,47-48,55-56H,14-15H2,1-5H3,(H,41,50)(H,42,51)(H,53,54)/t18-,19-,24+,25+,26-,29-,35+,38+,39-/m0/s1

InChIKey

ZVVMCQBZCQRRME-YABKDXSZSA-N

Smiles

CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN[C@@H](C(=O)N[C@H]4[C@H]5SC(C)(C)[C@@H](N5C4=O)C(=O)O)c6ccccc6)C(=O)c7c(O)cccc7[C@@]3(C)O