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Substance Name: Doxorubicin-gamma-cyclodextrin complex (1:1)
RN: 119227-88-2
InChIKey: MSYBWBQGVWCRNZ-LSBYAXRUSA-N

Molecular Formula

  • C48-H80-O40.C27-H29-N-O11

Molecular Weight

  • 1840.6421
 
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Names and Synonyms

Results Name

  • Doxorubicin-gamma-cyclodextrin complex (1:1)

Synonym

  • Doxorubicin-gamma-cyclodextrin complex (1:1)

Systematic Names

  • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-, compd with gamma-cyclodextrin (1:1)
  • gamma-Cyclodextrin, compd with (8S,10S)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione (1:1)

Registry Numbers

CAS Registry Number

  • 119227-88-2

System Generated Number

  • 0119227882

Molecular Formulas

Molecular Formula

  • C48-H80-O40.C27-H29-N-O11

Molecular Formula Fragments

  • C27-H29-N-O11
  • C48-H80-O40
  • COMPONENT

Structure Descriptors

InChI

1S/C48H80O40.C27H29NO11/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58;1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)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/h9-72H,1-8H2;3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-;10-,13-,15-,17-,22+,27-/m10/s1

InChIKey

MSYBWBQGVWCRNZ-LSBYAXRUSA-N

Smiles

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO.OC[C@H]6O[C@@H]7O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@@H]9CO)O[C@H]%10[C@H](O)[C@@H](O)[C@H](O[C@@H]%10CO)O[C@H]%11[C@H](O)[C@@H](O)[C@H](O[C@@H]%11CO)O[C@H]%12[C@H](O)[C@@H](O)[C@H](O[C@@H]%12CO)O[C@H]%13[C@H](O)[C@@H](O)[C@H](O[C@@H]%13CO)O[C@H]%14[C@H](O)[C@@H](O)[C@H](O[C@@H]%14CO)O[C@H]6[C@H](O)[C@H]7O