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Substance Name: Chlormethylenecycline, monosodium salt
RN: 68-20-2
UNII: V4JNK46U1U
InChIKey: VAGGWVXDNQZWRW-XGPCLQEUSA-M

Molecular Formula

  • C23-H25-Cl-N2-O9.Na

Molecular Weight

  • 530.8906
 
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Names and Synonyms

Results Name

  • Chlormethylenecycline, monosodium salt

Name of Substance

  • Clomocycline sodium

Synonyms

  • Chlormethylenecycline, monosodium salt
  • UNII-V4JNK46U1U

Systematic Name

  • 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-, monosodium salt, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-

Registry Numbers

CAS Registry Number

  • 68-20-2

FDA UNII

  • V4JNK46U1U

System Generated Number

  • 0000068202

Molecular Formulas

Molecular Formula

  • C23-H25-Cl-N2-O9.Na

Molecular Formula Fragments

  • C23-H25-Cl-N2-O9
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H25ClN2O9.Na/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22;/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33);/q;+1/p-1/t8-,9-,16-,22-,23-;/m0./s1

InChIKey

VAGGWVXDNQZWRW-XGPCLQEUSA-M

Smiles

C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)NCO)[O-])N(C)C)O)O)O)Cl)O.[Na+]