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Substance Name: Doxorubicin mixture with methylprednisone and vincristine
RN: 123354-96-1
InChIKey: VMHSRYOTNOSNMJ-WDVABTMBSA-N

Note

  • Chemotherapy protocol consisting of the these cpds.

Classification Code

  • Antineoplastic Agents

Molecular Formula

  • C46-H56-N4-O10.C27-H29-N-O11.C22-H30-O5

Molecular Weight

  • 1742.9625
 
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Names and Synonyms

Name of Substance

  • Doxorubicin mixture with methylprednisone and vincristine

Systematic Name

  • Vincaleukoblastine, 22-oxo-, mixt. with (8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopy ranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione and (6alpha,11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione

Registry Numbers

CAS Registry Number

  • 123354-96-1

System Generated Number

  • 0123354961

Molecular Formulas

Molecular Formula

  • C46-H56-N4-O10.C27-H29-N-O11.C22-H30-O5

Molecular Formula Fragments

  • C22-H30-O5
  • C27-H29-N-O11
  • C46-H56-N4-O10
  • COMPONENT

Structure Descriptors

InChI

1S/C46H56N4O10.C27H29NO11.C22H30O5/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;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;1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t28-,37-,38+,39+,42-,43+,44?,45-,46-;10-,13-,15-,17-,22+,27-;12-,14-,15-,17-,19+,20-,21-,22-/m000/s1

InChIKey

VMHSRYOTNOSNMJ-WDVABTMBSA-N

Smiles

CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7C68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O.C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O.C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O