DOXO-EMCH

CAS Registry Number®

151038-96-9

CAS Name

DOXO-EMCH

Molecular Formula

C37H42N4O13

Molecular Mass

750.75

Cite this Page

DOXO-EMCH.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=151038-96-9 (retrieved 2024-11-26) (CAS RN: 151038-96-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H42N4O13/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43)/t17-,20-,22-,27-,32+,37-/m0/s1

InChIKey

InChIKey=OBMJQRLIQQTJLR-FRTGXRTISA-N

SMILES

OC=1C2=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@](C(=NNC(CCCCCN4C(=O)C=CC4=O)=O)CO)(O)C2)C(O)=C5C1C(=O)C=6C(C5=O)=C(OC)C=CC6

Canonical SMILES

O=C1C=2C=CC=C(OC)C2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(C(=NNC(=O)CCCCCN5C(=O)C=CC5=O)CO)CC4OC6OC(C)C(O)C(N)C6

Other Names for this Substance

  • 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, 2-[1-[(2S,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene]hydrazide
  • 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, [1-[4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene]hydrazide, (2S-cis)-
  • 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, [1-[(2S,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene]hydrazide
  • DOXO-EMCH
  • Doxorubicin-EMCH

Deleted or Replaced CAS Registry Numbers

1448631-80-8

CAS INSIGHTSTM
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