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Substance Name: Digoxin-phosphatidylethanolamine conjugate
RN: 129966-52-5
InChIKey: RMZOQEGPACTFRL-QLBADTJSSA-N

Note

  • Used in liposome immunoassay.

Molecular Weight

  • 1598.978
 
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Names and Synonyms

Name of Substance

  • Digoxin-phosphatidylethanolamine conjugate

Synonym

  • Digoxin-dppe conjugate

Registry Numbers

CAS Registry Number

  • 129966-52-5

System Generated Number

  • 0129966525

Structure Descriptors

InChI

1S/C82H140N3O25P/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-70(90)99-53-63(107-71(91)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)54-103-111(96,97)102-47-46-83-68(87)55-100-84-45-41-73(104-57(3)51-85-101-56-69(88)89)109-77-58(4)105-74(50-67(77)86)110-78-59(5)106-79(76(94)75(78)93)108-62-38-42-80(6)61(49-62)36-37-66-65(80)39-43-81(7)64(40-44-82(66,81)95)60-48-72(92)98-52-60/h45,48,51,57-59,61-67,73-79,86,93-95H,8-44,46-47,49-50,52-56H2,1-7H3,(H,83,87)(H,88,89)(H,96,97)/b84-45+,85-51+

InChIKey

RMZOQEGPACTFRL-QLBADTJSSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CO/N=C/CC(OC1C(OC(CC1O)OC2C(OC(C(C2O)O)OC3CCC4(C(C3)CCC5C4CCC6(C5(CCC6C7=CC(=O)OC7)O)C)C)C)C)OC(C)/C=N/OCC(=O)O)OC(=O)CCCCCCCCCCCCCCC