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Substance Name: cis-(Platinum-dichloro(doxorubicin)(tert-butylamine))
RN: 107283-77-2
InChIKey: GNAWGIDWYXHXEH-UHFFFAOYSA-L

Note

  • A platinum(II)-doxorubicin complex.

Molecular Formulas

  • C31-H40-Cl2-N2-O11-Pt
  • C31-H40-Cl2.N2-O11-Pt

Molecular Weight

  • 882.646
 
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Names and Synonyms

Name of Substance

  • cis-(Platinum-dichloro(doxorubicin)(tert-butylamine))

Synonym

  • cis-(Ptcl2(Dx)(tba))

Systematic Name

  • Platinum, (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-N)dichloro(2-methyl-2-propanamine)-, (SP-4-3-(8S-cis))-

Registry Numbers

CAS Registry Number

  • 107283-77-2

System Generated Number

  • 0107283772

Molecular Formulas

Molecular Formulas

  • C31-H40-Cl2-N2-O11-Pt
  • C31-H40-Cl2.N2-O11-Pt

Molecular Formula Fragments

  • C31-H40-Cl2
  • COMPONENT
  • N2-O11-Pt

Structure Descriptors

InChI

1S/C27H29NO11.C4H11N.2ClH.Pt/c1-10-22(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;1-4(2,3)5;;;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;5H2,1-3H3;2*1H;/q;;;;+2/p-2

InChIKey

GNAWGIDWYXHXEH-UHFFFAOYSA-L

Smiles

N[C@@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1c2c(O)c3C(=O)c4c(cccc4C(=O)c3c(O)c2C[C@@](C1)(O)C(CO)=O)OC.[Pt+2].[ClH-].[ClH-].NC(C)(C)C