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Substance Name: Achromycin V
RN: 23843-90-5
InChIKey: XVIASBBRXARZGF-FMZCEJRJSA-K

Molecular Formula

  • C22-H24-N2-O8.C6-H8-O7

Molecular Weight

  • 633.536
 
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Names and Synonyms

Results Name

  • Achromycin V

Synonyms

  • 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide citrate (1:1)
  • Achromycin V

Systematic Name

  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, citrate (1:1)

Registry Numbers

CAS Registry Number

  • 23843-90-5

System Generated Number

  • 0023843905

Molecular Formulas

Molecular Formula

  • C22-H24-N2-O8.C6-H8-O7

Molecular Formula Fragments

  • C22-H24-N2-O8
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24N2O8.C6H8O7/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/t9-,10-,15-,21+,22-;/m0./s1

InChIKey

XVIASBBRXARZGF-FMZCEJRJSA-K

Smiles

C1(=O)C(C(N)=O)=C(O)[C@H](N(C)C)[C@@H]2C[C@@H]3[C@](C)(O)c4cccc(O)c4C(=O)C3=C(O)[C@@]12O.C(C(CC(=O)[O-])(C(=O)[O-])O)C(=O)[O-]