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Substance Name: Fredericamycin A potassium
RN: 113974-31-5
UNII: 6Q0NG3T8KN
InChIKey: ULOMSBFSMWGNNT-CWKOEQHLSA-M

Molecular Formula

  • C30-H18-N-O9.2H+.K

Molecular Weight

  • 577.584
 
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Names and Synonyms

Name of Substance

  • Fredericamycin A potassium

Synonyms

  • Fredericamycin A potassium
  • Fredericamycin A potassium salt [MI]
  • Spiro(2H-benz(f)indene-2,8'-(8H)cyclopent(g)isoquinoline)-1,1',3,5,8(2'H)-pentone, 6',7'-dihydro-4,9,9'-trihydroxy-6-methoxy-3'-(1E,3E)-1,3-pentadien-1-yl-, potassium salt (1:1), (2S)-
  • UNII-6Q0NG3T8KN

Registry Numbers

CAS Registry Number

  • 113974-31-5

FDA UNII

  • 6Q0NG3T8KN

System Generated Number

  • 0113974315

Structure Descriptors

InChI

1S/C30H21NO9.K/c1-3-4-5-6-14-10-13-9-12-7-8-30(22(12)26(36)17(13)29(39)31-14)27(37)20-21(28(30)38)25(35)19-18(24(20)34)15(32)11-16(40-2)23(19)33;/h3-6,9-11,34-36H,7-8H2,1-2H3,(H,31,39);/q;+1/p-1/b4-3+,6-5+;/t30-;/m1./s1

InChIKey

ULOMSBFSMWGNNT-CWKOEQHLSA-M

Smiles

[K+].COC1=CC(=O)c2c([O-])c3C(=O)[C@]4(CCc5cc6C=C(NC(=O)c6c([O-])c45)\C=C\C=C\C)C(=O)c3c([O-])c2C1=O