Zorubicin

CAS Registry Number®

54083-22-6
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CAS Name

Zorubicin

Molecular Formula

C34H35N3O10

Molecular Mass

645.66

Cite this Page

Zorubicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54083-22-6 (retrieved 2024-04-25) (CAS RN: 54083-22-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H35N3O10/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43)/t15-,20-,22-,23-,28+,34-/m0/s1

InChIKey

InChIKey=FBTUMDXHSRTGRV-BJISBDEGSA-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(=O)C4=CC=CC=C4)C)(O)C2)C(O)=C5C1C(=O)C=6C(C5=O)=C(OC)C=CC6

Canonical SMILES

O=C(NN=C(C)C1(O)CC2=C(O)C=3C(=O)C=4C=CC=C(OC)C4C(=O)C3C(O)=C2C(OC5OC(C)C(O)C(N)C5)C1)C=6C=CC=CC6

Other Names for this Substance

  • Benzoic acid, 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]ethylidene]hydrazide
  • Benzoic acid, [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]ethylidene]hydrazide, (2S-cis)-
  • Benzoic acid, [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]ethylidene]hydrazide
  • Daunomycin benzoylhydrazone
  • Rubidazone

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