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Substance Name: 5'-Adenylic acid, 2',3'-O-((4-((2-chloroethyl)methylamino)phenyl)methylene)-
RN: 47764-28-3
InChIKey: WZCBEVTXSPNLTQ-DBGWDLSPSA-N

Molecular Formula

  • C20-H24-Cl-N6-O7-P

Molecular Weight

  • 526.872
 
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Names and Synonyms

Synonym

  • 2',3'-O-((4-((2-Chloroethyl)methylamino)phenyl)methylene)-5'-adenylic acid

Systematic Name

  • 5'-Adenylic acid, 2',3'-O-((4-((2-chloroethyl)methylamino)phenyl)methylene)-

Registry Numbers

CAS Registry Number

  • 47764-28-3

System Generated Number

  • 0047764283

Structure Descriptors

InChI

1S/C20H24ClN6O7P/c1-26(7-6-21)12-4-2-11(3-5-12)20-33-15-13(8-31-35(28,29)30)32-19(16(15)34-20)27-10-25-14-17(22)23-9-24-18(14)27/h2-5,9-10,13,15-16,19-20H,6-8H2,1H3,(H2,22,23,24)(H2,28,29,30)/t13-,15-,16-,19-,20?/m1/s1

InChIKey

WZCBEVTXSPNLTQ-DBGWDLSPSA-N

Smiles

n1(cnc2c1ncnc2N)[C@H]1[C@@H]2O[C@@H](c3ccc(cc3)N(C)CCCl)O[C@@H]2[C@H](COP(=O)(O)O)O1