Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3'-Thymidylic acid, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)thymidylyl-(3'.5')-, mono(4-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1)
RN: 65088-04-2
InChIKey: UOUVCCNQNYKNEJ-KXARGVKDSA-N

Molecular Formula

  • C53-H52-Cl2-N4-O17-P2.C6-H15-N

Molecular Weight

  • 1251.0503
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 265-408-5

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 65088-04-2

System Generated Number

  • 0065088042

Molecular Formulas

Molecular Formula

  • C53-H52-Cl2-N4-O17-P2.C6-H15-N

Molecular Formula Fragments

  • C53-H52-Cl2-N4-O17-P2
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C53H52Cl2N4O17P2.C6H15N/c1-32-28-58(51(62)56-49(32)60)47-26-43(75-77(64,65)73-41-22-14-37(54)15-23-41)46(72-47)31-70-78(66,74-42-24-16-38(55)17-25-42)76-44-27-48(59-29-33(2)50(61)57-52(59)63)71-45(44)30-69-53(34-8-6-5-7-9-34,35-10-18-39(67-3)19-11-35)36-12-20-40(68-4)21-13-36;1-4-7(5-2)6-3/h5-25,28-29,43-48H,26-27,30-31H2,1-4H3,(H,64,65)(H,56,60,62)(H,57,61,63);4-6H2,1-3H3/t43-,44-,45+,46+,47+,48+,78?;/m0./s1

InChIKey

UOUVCCNQNYKNEJ-KXARGVKDSA-N

Smiles

CCN(CC)CC.Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)OP(=O)(OC[C@@H]6[C@H](C[C@@H](O6)n7cc(c(=O)[nH]c7=O)C)OP(=O)(O)Oc8ccc(cc8)Cl)Oc9ccc(cc9)Cl