Esorubicin

CAS Registry Number®

63521-85-7
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CAS Name

Esorubicin

Molecular Formula

C27H29NO10

Molecular Mass

527.52

Cite this Page

Esorubicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63521-85-7 (retrieved 2024-05-18) (CAS RN: 63521-85-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H29NO10/c1-11-6-12(28)7-18(37-11)38-16-9-27(35,17(30)10-29)8-14-20(16)26(34)22-21(24(14)32)23(31)13-4-3-5-15(36-2)19(13)25(22)33/h3-5,11-12,16,18,29,32,34-35H,6-10,28H2,1-2H3/t11-,12+,16-,18-,27-/m0/s1

InChIKey

InChIKey=ITSGNOIFAJAQHJ-BMFNZSJVSA-N

SMILES

OC=1C2=C([C@@H](O[C@H]3C[C@H](N)C[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)CC(N)C5

Other Names for this Substance

  • 5,12-Naphthacenedione, 10-[[(2S,4R,6S)-4-aminotetrahydro-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-[(4-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, [2S-[2α(8R*,10R*),4β,6β]]-
  • 5,12-Naphthacenedione, 10-[[(2S,4R,6S)-4-aminotetrahydro-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-[[(2S,4R,6S)-4-Aminotetrahydro-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′-Deoxyadriamycin

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