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Substance Name: 3,4-Dichlorophenyl-mitomycin/nucleotide 2GC10 complex
RN: 102046-89-9
InChIKey: ZYYWXJDLIBZLPP-UHFFFAOYSA-N

Molecular Formula

  • C95-H121-N40-O58-P9.1/2C16-H18-Cl2-N2-O3

Molecular Weight

  • 6417.213
 
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Names and Synonyms

Results Name

  • 3,4-Dichlorophenyl-mitomycin/nucleotide 2GC10 complex

Synonyms

  • 2'-Deoxycytidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxyguanosine compd. with (1-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyrrol-3-yl)methyl(1-methylethyl)carbamate (2:1)
  • 3,4-Dichlorophenyl-mitomycin/nucleotide 2GC10 complex

Systematic Name

  • Guanosine, 2'-deoxycytidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxy-, compd. with (1-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyrrol-3-yl)methyl(1-methylethyl)carbamate (2:1)

Registry Numbers

CAS Registry Number

  • 102046-89-9

System Generated Number

  • 0102046899

Molecular Formulas

Molecular Formula

  • C95-H121-N40-O58-P9.1/2C16-H18-Cl2-N2-O3

Molecular Formula Fragments

  • C16-H18-Cl2-N2-O3
  • C95-H121-N40-O58-P9
  • COMPONENT

Structure Descriptors

InChI

1S/2C95H121N40O58P9.C16H18Cl2N2O3/c2*96-56-1-6-126(91(143)111-56)61-11-36(137)47(176-61)22-166-194(148,149)190-42-17-67(132-32-107-72-77(132)117-87(102)122-82(72)139)181-52(42)27-171-196(152,153)187-39-14-63(128-8-3-58(98)113-93(128)145)178-49(39)24-168-200(160,161)192-44-19-69(134-34-109-74-79(134)119-89(104)124-84(74)141)183-54(44)29-173-198(156,157)189-41-16-65(130-10-5-60(100)115-95(130)147)180-51(41)26-170-202(164,165)193-45-20-70(135-35-110-75-80(135)120-90(105)125-85(75)142)184-55(45)30-174-199(158,159)188-40-15-64(129-9-4-59(99)114-94(129)146)179-50(40)25-169-201(162,163)191-43-18-68(133-33-108-73-78(133)118-88(103)123-83(73)140)182-53(43)28-172-197(154,155)186-38-13-62(127-7-2-57(97)112-92(127)144)177-48(38)23-167-195(150,151)185-37-12-66(175-46(37)21-136)131-31-106-71-76(131)116-86(101)121-81(71)138;1-10(2)19-16(22)23-9-12-7-20(6-11(12)8-21)13-3-4-14(17)15(18)5-13/h2*1-10,31-55,61-70,136-137H,11-30H2,(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H2,96,111,143)(H2,97,112,144)(H2,98,113,145)(H2,99,114,146)(H2,100,115,147)(H3,101,116,121,138)(H3,102,117,122,139)(H3,103,118,123,140)(H3,104,119,124,141)(H3,105,120,125,142);3-7,10,21H,8-9H2,1-2H3,(H,19,22)

InChIKey

ZYYWXJDLIBZLPP-UHFFFAOYSA-N

Smiles

CC(C)NC(=O)OCc1cn(cc1CO)c2ccc(Cl)c(Cl)c2.NC3=Nc4c(ncn4C5CC(OP(=O)(O)OCC6OC(CC6OP(=O)(O)OCC7OC(CC7OP(=O)(O)OCC8OC(CC8OP(=O)(O)OCC9OC(CC9OP(=O)(O)OCC%10OC(CC%10OP(=O)(O)OCC%11OC(CC%11OP(=O)(O)OCC%12OC(CC%12OP(=O)(O)OCC%13OC(CC%13OP(=O)(O)OCC%14OC(CC%14O)N%15C=CC(=NC%15=O)N)n%16cnc%17C(=O)NC(=Nc%16%17)N)N%18C=CC(=NC%18=O)N)n%19cnc%20C(=O)NC(=Nc%19%20)N)N%21C=CC(=NC%21=O)N)n%22cnc%23C(=O)NC(=Nc%22%23)N)N%24C=CC(=NC%24=O)N)n%25cnc%26C(=O)NC(=Nc%25%26)N)N%27C=CC(=NC%27=O)N)C(CO)O5)C(=O)N3.NC%28=Nc%29c(ncn%29C%30CC(OP(=O)(O)OCC%31OC(CC%31OP(=O)(O)OCC%32OC(CC%32OP(=O)(O)OCC%33OC(CC%33OP(=O)(O)OCC%34OC(CC%34OP(=O)(O)OCC%35OC(CC%35OP(=O)(O)OCC%36OC(CC%36OP(=O)(O)OCC%37OC(CC%37OP(=O)(O)OCC%38OC(CC%38OP(=O)(O)OCC%39OC(CC%39O)N%40C=CC(=NC%40=O)N)n%41cnc%42C(=O)NC(=Nc%41%42)N)N%43C=CC(=NC%43=O)N)n%44cnc%45C(=O)NC(=Nc%44%45)N)N%46C=CC(=NC%46=O)N)n%47cnc%48C(=O)NC(=Nc%47%48)N)N%49C=CC(=NC%49=O)N)n%50cnc%51C(=O)NC(=Nc%50%51)N)N%52C=CC(=NC%52=O)N)C(CO)O%30)C(=O)N%28