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Substance Name: Coumermycin sodium [USAN]
RN: 4575-42-2
UNII: 1VHT58TJ83
InChIKey: WTUXHNVTMYDUAM-DHHSFAMCSA-M

Classification Code

  • Antibacterial

Molecular Formula

  • C55-H59-N5-O20.Na

Molecular Weight

  • 1132.0682
 
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Names and Synonyms

Name of Substance

  • Coumermycin sodium [USAN]

Synonyms

  • Coumermycin A1, sodium deriv
  • Coumermycin sodium
  • Ro 05-4645/010
  • Ro 5-4645/010
  • Sodium coumermycin A1
  • UNII-1VHT58TJ83

Systematic Name

  • 1H-Pyrrole-2-carboxylic acid, 5-methyl-, diester with N,N'-bis(7-((6-deoxy-5-C-methyl-4-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-3-methyl-1H-pyrrole-2,4-dicarboxamide monosodium salt

Registry Numbers

CAS Registry Number

  • 4575-42-2

FDA UNII

  • 1VHT58TJ83

Other Registry Numbers

  • 27335-31-5
  • 29747-76-0
  • 87901-11-9

System Generated Number

  • 0004575422

Molecular Formulas

Molecular Formula

  • C55-H59-N5-O20.Na

Molecular Formula Fragments

  • C55-H59-N5-O20
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C55H59N5O20.Na/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30;/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66);/q;+1/p-1/t38-,39-,42+,43+,44-,45-,52-,53-;/m1./s1

InChIKey

WTUXHNVTMYDUAM-DHHSFAMCSA-M

Smiles

[Na+].CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc3ccc4C(=C(NC(=O)c5c[nH]c(C(=O)NC6=C([O-])c7ccc(O[C@@H]8OC(C)(C)[C@H](OC)[C@@H](OC(=O)c9ccc(C)[nH]9)[C@H]8O)c(C)c7OC6=O)c5C)C(=O)Oc4c3C)O)OC1(C)C