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Substance Name: Demecycline [USAN:INN]
RN: 987-02-0
UNII: TV240CH11P
InChIKey: JCSGAUKCDAVARS-SOUFLCLCSA-N

Classification Code

  • Antibacterial

Molecular Formula

  • C21-H22-N2-O8

Molecular Weight

  • 430.4108
 
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Names and Synonyms

Name of Substance

  • Demecycline [USAN:INN]

Synonyms

  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-
  • 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide
  • 4beta-Dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6alpha,10,12,12abeta-pentahydro-1,11-dioxo-2-naphthacencarboxamid
  • 6-Demethyltetracyclin
  • A IX
  • CL 22415
  • Demeciclina
  • Demeciclina [INN-Spanish]
  • Demecycline
  • Demecyclinum
  • Demecyclinum [INN-Latin]
  • Demethyltetracycline
  • UNII-TV240CH11P

Systematic Name

  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-

Registry Numbers

CAS Registry Number

  • 987-02-0

FDA UNII

  • TV240CH11P

System Generated Number

  • 0000987020

Structure Descriptors

InChI

1S/C21H22N2O8/c1-23(2)14-9-6-8-12(16(26)11-7(15(8)25)4-3-5-10(11)24)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-5,8-9,14-15,24-25,27-28,31H,6H2,1-2H3,(H2,22,30)/t8-,9-,14-,15+,21-/m0/s1

InChIKey

JCSGAUKCDAVARS-SOUFLCLCSA-N

Smiles

CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4cccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)O