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Substance Name: 3'-Cytidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1)
RN: 85381-24-4
InChIKey: IHCAQPYUATVUIY-BQCABBGESA-N

Molecular Formula

  • C43-H39-Cl-N3-O10-P.C6-H15-N

Molecular Weight

  • 925.4106
 
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Names and Synonyms

Synonym

  • EINECS 286-752-2

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85381-24-4

System Generated Number

  • 0085381244

Molecular Formulas

Molecular Formula

  • C43-H39-Cl-N3-O10-P.C6-H15-N

Molecular Formula Fragments

  • C43-H39-Cl-N3-O10-P
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C43H39ClN3O10P.C6H15N/c1-52-33-21-17-31(18-22-33)43(30-13-7-4-8-14-30,32-19-23-34(53-2)24-20-32)54-28-38-37(57-58(50,51)56-36-16-10-9-15-35(36)44)27-40(55-38)47-26-25-39(46-42(47)49)45-41(48)29-11-5-3-6-12-29;1-4-7(5-2)6-3/h3-26,37-38,40H,27-28H2,1-2H3,(H,50,51)(H,45,46,48,49);4-6H2,1-3H3/t37-,38+,40+;/m0./s1

InChIKey

IHCAQPYUATVUIY-BQCABBGESA-N

Smiles

CCN(CC)CC.COc1ccc(cc1)C(OC[C@H]2O[C@H](C[C@@H]2OP(=O)(O)Oc3ccccc3Cl)N4C=CC(=NC4=O)NC(=O)c5ccccc5)(c6ccccc6)c7ccc(OC)cc7