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Substance Name: beta,beta'-Monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate
RN: 116371-34-7
InChIKey: WJVKFIBTKWVSPQ-GLYJMQRISA-N

Note

  • Resistant to phosphodiesterase activity; has antithrombotic effect.

Molecular Formula

  • C21-H29-Cl-N10-O18-P4

Molecular Weight

  • 868.8611
 
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Names and Synonyms

Name of Substance

  • beta,beta'-Monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate

Synonym

  • Appchcl-ppa

Systematic Name

  • 5'-Adenylic acid, 5'-P:5'''-P'-dianhydride with (chloromethylene)bis(phosphonic acid)

Registry Numbers

CAS Registry Number

  • 116371-34-7

System Generated Number

  • 0116371347

Structure Descriptors

InChI

1S/C21H29ClN10O18P4/c22-21(51(36,37)38)52(39,40)49-14-8(48-20(13(14)35)32-6-30-10-16(24)26-4-28-18(10)32)2-46-54(43,44)50-53(41,42)45-1-7-11(33)12(34)19(47-7)31-5-29-9-15(23)25-3-27-17(9)31/h3-8,11-14,19-21,33-35H,1-2H2,(H,39,40)(H,41,42)(H,43,44)(H2,23,25,27)(H2,24,26,28)(H2,36,37,38)/t7-,8-,11-,12-,13-,14-,19-,20-,21?/m1/s1

InChIKey

WJVKFIBTKWVSPQ-GLYJMQRISA-N

Smiles

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(C(P(=O)(O)O)Cl)O)O)O)N