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Substance Name: EINECS 299-472-0
RN: 93891-90-8
InChIKey: GNTNQZQOCZQSJC-MMAYOHFDSA-N

Molecular Formula

  • C66-H58-Cl2-N8-O16-P2.C6-H15-N

Molecular Weight

  • 1453.2697
 
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Names and Synonyms

Results Name

  • EINECS 299-472-0

Synonym

  • EINECS 299-472-0

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 93891-90-8

System Generated Number

  • 0093891908

Molecular Formulas

Molecular Formula

  • C66-H58-Cl2-N8-O16-P2.C6-H15-N

Molecular Formula Fragments

  • C6-H15-N
  • C66-H58-Cl2-N8-O16-P2
  • COMPONENT

Structure Descriptors

InChI

1S/C66H58Cl2N8O16P2.C6H15N/c1-83-49-26-18-45(19-27-49)66(44-16-10-5-11-17-44,46-20-28-50(84-2)29-21-46)85-38-55-54(37-59(87-55)76-41-71-60-61(69-40-70-62(60)76)74-64(78)43-14-8-4-9-15-43)92-94(82,90-52-32-24-48(68)25-33-52)86-39-56-53(91-93(80,81)89-51-30-22-47(67)23-31-51)36-58(88-56)75-35-34-57(73-65(75)79)72-63(77)42-12-6-3-7-13-42;1-4-7(5-2)6-3/h3-35,40-41,53-56,58-59H,36-39H2,1-2H3,(H,80,81)(H,69,70,74,78)(H,72,73,77,79);4-6H2,1-3H3/t53-,54-,55+,56+,58+,59+,94?;/m0./s1

InChIKey

GNTNQZQOCZQSJC-MMAYOHFDSA-N

Smiles

CCN(CC)CC.COc1ccc(cc1)C(OC[C@H]2O[C@H](C[C@@H]2OP(=O)(OC[C@H]3O[C@H](C[C@@H]3OP(=O)(O)Oc4ccc(Cl)cc4)N5C=CC(=NC5=O)NC(=O)c6ccccc6)Oc7ccc(Cl)cc7)n8cnc9c(NC(=O)c%10ccccc%10)ncnc89)(c%11ccccc%11)c%12ccc(OC)cc%12