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Substance Name: Deoxyadenylyl-thymidyl-deoxyguanylyl-deoxyguanosine-cisplatin complex
RN: 91864-32-3
InChIKey: UZXRICATRQGMQT-UHFFFAOYSA-N

Molecular Formula

  • C40-H53-N19-O22-P3-Pt.H4-N

Molecular Weight

  • 1427.98
 
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Names and Synonyms

Name of Substance

  • Deoxyadenylyl-thymidyl-deoxyguanylyl-deoxyguanosine-cisplatin complex

Synonyms

  • Cisplatin-deoxyadenylyl-thymidylyl-deoxyguanylyl-deoxyguanosine complex
  • d(A-T-G-G)Cisplatin
  • d(Atgg)cispt

Systematic Name

  • Platinate(1-), diammine(2'-deoxyadenylyl-(3'-5')-thymidylyl-(3'-5')-2'-deoxyguanylyl-(3'-5')-2'-deoxyguanosinate(3-))-, (Z,E,E,E,E)-

Registry Numbers

CAS Registry Number

  • 91864-32-3

System Generated Number

  • 0091864323

Molecular Formulas

Molecular Formula

  • C40-H53-N19-O22-P3-Pt.H4-N

Molecular Formula Fragments

  • C40-H53-N19-O22-P3-Pt
  • COMPONENT
  • H4-N

Structure Descriptors

InChI

1S/C39H48N17O21P3.H3N.2H2N.Pt/c1-15-6-53(39(61)52-35(15)59)24-4-18(21(71-24)8-68-78(62,63)74-17-3-25(70-20(17)7-57)54-12-47-27-30(40)43-10-45-32(27)54)75-79(64,65)69-9-22-19(5-26(72-22)55-13-48-28-31(41)44-11-46-33(28)55)76-80(66,67)77-37-16(58)2-23(73-37)56-14-49-29-34(56)50-38(42)51-36(29)60;;;;/h6,10-14,16-26,37,57-58H,2-5,7-9H2,1H3,(H,62,63)(H,64,65)(H,66,67)(H2,40,43,45)(H2,41,44,46)(H,52,59,61)(H3,42,50,51,60);1H3;2*1H2;/q;;2*-1;+2

InChIKey

UZXRICATRQGMQT-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H](C[C@@H]1n1cnc2c1ncnc2N)O[P@@](O[C@@H]1[C@@H](O)C[C@@H](n2cnc3c2[nH]c(nc3=O)N)O1)(O)=O)CO[P@@](O[C@@H]1C[C@@H](O[C@@H]1CO[P@@](O[C@@H]1C[C@@H](O[C@@H]1CO)n1cnc2c1ncnc2N)(=O)O)n1cc(c([nH]c1=O)=O)C)(=O)O.N.[Pt](N)N