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Substance Name: 3'-Thymidylic acid, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1)
RN: 85393-37-9
InChIKey: MJFDEDRWCWOABG-CFNLNGMWSA-N

Molecular Formula

  • C37-H36-Cl-N2-O10-P.C6-H15-N

Molecular Weight

  • 836.3139
 
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Names and Synonyms

Synonym

  • EINECS 286-938-3

Systematic Name

  • 3'-Thymidylic acid, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 85393-37-9

System Generated Number

  • 0085393379

Molecular Formulas

Molecular Formula

  • C37-H36-Cl-N2-O10-P.C6-H15-N

Molecular Formula Fragments

  • C37-H36-Cl-N2-O10-P
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C37H36ClN2O10P.C6H15N/c1-24-22-40(36(42)39-35(24)41)34-21-32(50-51(43,44)49-31-12-8-7-11-30(31)38)33(48-34)23-47-37(25-9-5-4-6-10-25,26-13-17-28(45-2)18-14-26)27-15-19-29(46-3)20-16-27;1-4-7(5-2)6-3/h4-20,22,32-34H,21,23H2,1-3H3,(H,43,44)(H,39,41,42);4-6H2,1-3H3/t32-,33+,34+;/m0./s1

InChIKey

MJFDEDRWCWOABG-CFNLNGMWSA-N

Smiles

CCN(CC)CC.COc1ccc(cc1)C(OC[C@H]2O[C@H](C[C@@H]2OP(=O)(O)Oc3ccccc3Cl)N4C=C(C)C(=O)NC4=O)(c5ccccc5)c6ccc(OC)cc6