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Substance Name: 2-Pyridinecarboxamide, N,N'-(1,4-butanediylbis(imino-3,1-propanediyl))bis(5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-
RN: 99533-81-0
InChIKey: NDTGMUVNTAUSIR-UHFFFAOYSA-N

Molecular Formula

  • C60-H66-N12-O14

Molecular Weight

  • 1179.2514
 
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Names and Synonyms

Synonyms

  • STN-NH(CH2)3NH(CH2)4NH(CH2)3NH-STN
  • Streptonigrin dimer

Systematic Name

  • 2-Pyridinecarboxamide, N,N'-(1,4-butanediylbis(imino-3,1-propanediyl))bis(5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

Registry Numbers

CAS Registry Number

  • 99533-81-0

System Generated Number

  • 0099533810

Structure Descriptors

InChI

1S/C60H66N12O14/c1-27-37(29-15-19-35(81-3)55(83-5)49(29)73)39(61)47(33-17-13-31-45(69-33)53(77)41(63)57(85-7)51(31)75)71-43(27)59(79)67-25-11-23-65-21-9-10-22-66-24-12-26-68-60(80)44-28(2)38(30-16-20-36(82-4)56(84-6)50(30)74)40(62)48(72-44)34-18-14-32-46(70-34)54(78)42(64)58(86-8)52(32)76/h13-20,65-66,73-74H,9-12,21-26,61-64H2,1-8H3,(H,67,79)(H,68,80)

InChIKey

NDTGMUVNTAUSIR-UHFFFAOYSA-N

Smiles

Cc1c(c(c(nc1C(=O)NCCCNCCCCNCCCNC(=O)c2c(c(c(c(n2)c3ccc4c(n3)C(=O)C(=C(C4=O)OC)N)N)c5ccc(c(c5O)OC)OC)C)c6ccc7c(n6)C(=O)C(=C(C7=O)OC)N)N)c8ccc(c(c8O)OC)OC