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Substance Name: Guamecycline dihydrochloride
RN: 13040-98-7
UNII: DL609MM5I8
InChIKey: SNUNMHCZVZIEMV-KGHBUBBXSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C29-H38-N8-O8.2Cl-H

Molecular Weight

  • 699.589
 
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Names and Synonyms

Name of Substance

  • Guamecycline dihydrochloride

Synonyms

  • EINECS 235-913-5
  • Guamecycline HCl
  • NSC 118695
  • UNII-DL609MM5I8
  • Xanthocycline
  • Xanthomycin
  • Xanthomycin a, hydrochloride

Systematic Names

  • 2-Naphthacenecarboxamide, N-((4-(((aminoiminomethyl)amino)iminomethyl)-1-piperazinyl)methyl)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, dihydrochloride, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-
  • 2-Naphthacenecarboxamide, N-((4-(amidinoamidino)-1-piperazinyl)methyl)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 13040-98-7

FDA UNII

  • DL609MM5I8

Related Registry Number

  • 16545-11-2 (Parent)

System Generated Number

  • 0013040987

Molecular Formulas

Molecular Formula

  • C29-H38-N8-O8.2Cl-H

Molecular Formula Fragments

  • C29-H38-N8-O8
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H38N8O8.2ClH/c1-28(44)13-5-4-6-16(38)17(13)21(39)18-14(28)11-15-20(35(2)3)22(40)19(24(42)29(15,45)23(18)41)25(43)33-12-36-7-9-37(10-8-36)27(32)34-26(30)31;;/h4-6,14-15,20,38,40-41,44-45H,7-12H2,1-3H3,(H,33,43)(H5,30,31,32,34);2*1H/t14-,15-,20-,28+,29-;;/m0../s1

InChIKey

SNUNMHCZVZIEMV-KGHBUBBXSA-N

Smiles

Cl.Cl.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCN(CC4)C(=N)NC(=N)N)C(=O)c5c(O)cccc5[C@@]3(C)O