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Substance Name: Digoxin-iodohistamine(bis(O-carboxymethyloxime))
RN: 142078-77-1
InChIKey: YMJSUCJSHDPZGU-DYNKCWONSA-N

Note

  • Possible Na,K-ATPase imaging agent.

Molecular Weight

  • 1359.28
 
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Names and Synonyms

Name of Substance

  • Digoxin-iodohistamine(bis(O-carboxymethyloxime))

Synonym

  • Dihbco

Registry Numbers

CAS Registry Number

  • 142078-77-1

System Generated Number

  • 0142078771

Structure Descriptors

InChI

1S/C55H80I2N8O16/c1-29(23-65-75-26-44(70)59-16-11-39-52(57)63-28-61-39)76-46(12-17-64-74-25-43(69)58-15-10-38-51(56)62-27-60-38)80-49-30(2)78-48(22-41(49)67)81-50-31(3)77-47(21-40(50)66)79-34-8-13-53(4)33(19-34)6-7-36-37(53)20-42(68)54(5)35(9-14-55(36,54)72)32-18-45(71)73-24-32/h17-18,23,27-31,33-37,40-42,46-50,66-68,72H,6-16,19-22,24-26H2,1-5H3,(H,58,69)(H,59,70)(H,60,62)(H,61,63)/b64-17+,65-23+/i56-2,57-2

InChIKey

YMJSUCJSHDPZGU-DYNKCWONSA-N

Smiles

c1(c([125I])nc[nH]1)CCNC(CO\N=C\C[C@@H](O[C@@H]1[C@@H](O[C@@H](C[C@@H]1O)O[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2CC[C@@]3([C@@H]4C[C@@H]([C@@]5([C@@]([C@@H]4CC[C@@H]3C2)(O)CC[C@@H]5C2=CC(=O)OC2)C)O)C)C[C@@H]1O)C)O[C@@H](\C=N\OCC(NCCc1c(nc[nH]1)[125I])=O)C)=O