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Substance Name: Iodomycin
RN: 121071-90-7
InChIKey: YHTMSGVYYROIIF-UHFFFAOYSA-N

Molecular Formula

  • C36-H36-I-N-O12

Molecular Weight

  • 801.575
 
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Names and Synonyms

Name of Substance

  • Iodomycin

Systematic Name

  • 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((3-(4-hydroxy-3-iodophenyl)-1-oxopropyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 121071-90-7

System Generated Number

  • 0121071907

Structure Descriptors

InChI

1S/C36H36INO12/c1-15-31(42)21(38-25(41)10-8-17-7-9-22(40)20(37)11-17)12-26(49-15)50-24-14-36(47,16(2)39)13-19-28(24)35(46)30-29(33(19)44)32(43)18-5-4-6-23(48-3)27(18)34(30)45/h4-7,9,11,15,21,24,26,31,40,42,44,46-47H,8,10,12-14H2,1-3H3,(H,38,41)

InChIKey

YHTMSGVYYROIIF-UHFFFAOYSA-N

Smiles

c1(ccc(c(c1)I)O)CCC(N[C@@H]1C[C@@H](O[C@@H]([C@@H]1O)C)O[C@@H]1C[C@@](Cc2c(c3C(c4cccc(c4C(c3c(c12)O)=O)OC)=O)O)(O)C(C)=O)=O