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Substance Name: Pradimicinone I
RN: 116276-03-0
InChIKey: MXDWXJYFRRURMW-ILWJZNQRSA-N

Molecular Formula

  • C28-H23-N-O11

Molecular Weight

  • 549.4857
 
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Names and Synonyms

Results Name

  • Pradimicinone I

Synonyms

  • Benanomicinone AGL
  • BMY 28750
  • BMY-28750
  • PMNI
  • Pradimicin AG-2
  • Pradimicinone I

Systematic Name

  • D-Alanine, N-((5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S, 6S)-

Registry Numbers

CAS Registry Number

  • 116276-03-0

System Generated Number

  • 0116276030

Structure Descriptors

InChI

1S/C28H23NO11/c1-8-4-11-18(25(35)16(8)27(37)29-9(2)28(38)39)19-13(24(34)23(11)33)7-14-20(26(19)36)22(32)12-5-10(40-3)6-15(30)17(12)21(14)31/h4-7,9,23-24,30,33-36H,1-3H3,(H,29,37)(H,38,39)/t9-,23+,24+/m1/s1

InChIKey

MXDWXJYFRRURMW-ILWJZNQRSA-N

Smiles

Cc1cc2c(c(c1C(=O)N[C@H](C)C(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)[C@@H]([C@H]2O)O