Iododoxorubicin

CAS Registry Number®

83997-75-5
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CAS Name

Iododoxorubicin

Molecular Formula

C27H28INO10

Molecular Mass

653.42

Cite this Page

Iododoxorubicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83997-75-5 (retrieved 2024-09-22) (CAS RN: 83997-75-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H28INO10/c1-10-22(28)13(29)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,30,33,35-36H,6-9,29H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1

InChIKey

InChIKey=PDQGEKGUTOTUNV-TZSSRYMLSA-N

SMILES

OC=1C2=C([C@@H](O[C@H]3C[C@H](N)[C@H](I)[C@H](C)O3)C[C@@](C(CO)=O)(O)C2)C(O)=C4C1C(=O)C=5C(C4=O)=C(OC)C=CC5

Canonical SMILES

O=C1C=2C=CC=C(OC)C2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(C(=O)CO)CC4OC5OC(C)C(I)C(N)C5

Other Names for this Substance

  • 5,12-Naphthacenedione, 10-[[(2R,4S,5S,6S)-4-aminotetrahydro-5-iodo-6-methyl-2H-pyran-2-yl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)-
  • 5,12-Naphthacenedione, 10-[[(2R,4S,5S,6S)-4-aminotetrahydro-5-iodo-6-methyl-2H-pyran-2-yl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-
  • (8S,10S)-10-[[(2R,4S,5S,6S)-4-Aminotetrahydro-5-iodo-6-methyl-2H-pyran-2-yl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
  • 4′-Deoxy-4′-iododoxorubicin
  • 4′-Deoxy-4′-iodoadriamycin

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Deleted or Replaced CAS Registry Numbers

119485-06-2, 144120-06-9