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Substance Name: d(Tatc)m(5)acr-d(gata) complex
RN: 103304-59-2
InChIKey: YFVWKJVYFNKQPO-YVVADQDZSA-N

Molecular Weight

  • 2737.47
 
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Names and Synonyms

Name of Substance

  • d(Tatc)m(5)acr-d(gata) complex

Synonym

  • d(Tatc)m(5)-(2-methoxy-6-chloro-9-aminoacridine)-d(gata) complex

Registry Numbers

CAS Registry Number

  • 103304-59-2

System Generated Number

  • 0103304592

Structure Descriptors

InChI

1S/C58H71ClN14O26P4.C40H50N17O21P3/c1-5-6-7-11-62-48-30-9-8-29(59)13-32(30)66-33-15-42(38(90-4)14-31(33)48)100(81,91-24-41-37(97-103(88,89)99-102(85,86)87)19-46(94-41)70-12-10-43(60)67-55(70)78)98-58(50-35(75)17-44(95-50)71-22-27(2)53(76)68-56(71)79,20-39-34(74)16-45(92-39)73-26-65-49-51(61)63-25-64-52(49)73)21-40-36(96-101(82,83)84)18-47(93-40)72-23-28(3)54(77)69-57(72)80;1-14-7-54(40(63)53-37(14)61)22-4-17(59)21(73-22)8-71-30(31-18(60)5-24(75-31)55-11-48-26-32(41)44-9-46-34(26)55)15(2-19-16(58)3-23(72-19)57-13-50-28-36(57)51-39(43)52-38(28)62)29-20(76-80(67,68)78-81(69,70)77-79(64,65)66)6-25(74-29)56-12-49-27-33(42)45-10-47-35(27)56/h8-10,12-15,22-23,25-26,34-37,39-41,44-47,50,74-75H,5-7,11,16-21,24H2,1-4H3,(H,62,66)(H,88,89)(H2,60,67,78)(H2,61,63,64)(H,68,76,79)(H,69,77,80)(H2,82,83,84)(H2,85,86,87);7,9-13,15-25,29-31,58-60H,2-6,8H2,1H3,(H,67,68)(H,69,70)(H2,41,44,46)(H2,42,45,47)(H,53,61,63)(H2,64,65,66)(H3,43,51,52,62)/t34-,35-,36-,37-,39+,40+,41+,44+,45+,46+,47+,50-,58?,100?;15?,16-,17-,18-,19+,20-,21+,22+,23+,24+,25+,29+,30?,31-/m00/s1

InChIKey

YFVWKJVYFNKQPO-YVVADQDZSA-N

Smiles

O(P(=O)(O)O)[P@@](=O)(O[P@@](O[C@@H]1[C@@H]([C@H](C[C@@H]2[C@@H](O)C[C@@H](O2)n2cnc3c(=O)[nH]c(N)nc23)[C@H](OC[C@@H]2[C@@H](O)C[C@@H](O2)n2c(=O)[nH]c(=O)c(C)c2)[C@H]2O[C@@H](n3cnc4c(N)ncnc34)C[C@@H]2O)O[C@H](C1)n1cnc2c(N)ncnc12)(O)=O)O.O[P@@](=O)(OP(=O)(O)O)O[C@@H]1[C@@H](CO[P@@](=O)(O[C@@]([C@@H]2[C@@H](O)C[C@@H](O2)n2c(=O)[nH]c(=O)c(C)c2)(C[C@@H]2[C@@H](O)C[C@@H](O2)n2cnc3c(N)ncnc23)C[C@@H]2[C@@H](OP(=O)(O)O)C[C@@H](O2)n2c(=O)[nH]c(=O)c(C)c2)c2c(cc3c(c4ccc(cc4nc3c2)Cl)NCCCCC)OC)O[C@H](C1)n1c(=O)nc(N)cc1