Aclarubicin

CAS Registry Number®

57576-44-0
No image available.

CAS Name

Aclarubicin

Molecular Formula

C42H53NO15

Molecular Mass

811.87

Cite this Page

Aclarubicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57576-44-0 (retrieved 2024-05-29) (CAS RN: 57576-44-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151-153 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1

InChIKey

InChIKey=USZYSDMBJDPRIF-SVEJIMAYSA-N

SMILES

C(OC)(=O)[C@@H]1C2=C([C@@H](O[C@H]3C[C@H](N(C)C)[C@H](O[C@H]4C[C@H](O)[C@H](O[C@@H]5O[C@@H](C)C(=O)CC5)[C@H](C)O4)[C@H](C)O3)C[C@@]1(CC)O)C(O)=C6C(=C2)C(=O)C=7C(C6=O)=C(O)C=CC7

Canonical SMILES

O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=C4C(=CC13)C(C(=O)OC)C(O)(CC)CC4OC5OC(C)C(OC6OC(C)C(OC7OC(C(=O)CC7)C)C(O)C6)C(N(C)C)C5

Other Names for this Substance

  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6S)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S)-
  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, [1R-(1α,2β,4β)]-
  • Aclacinomycin A
  • Antibiotic MA 144A1
  • Aclarubicin

Deleted or Replaced CAS Registry Numbers

72711-48-9

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