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Substance Name: 3'-Adenylic acid, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxy-N-(2-methyl-1-oxopropyl)guanylyl-(3'.5')-N-benzoyl-2'-deoxy-, mono(4-chlorophenyl)ester, compd. with N,N-diethylethanamine (1:1)
RN: 93859-61-1
InChIKey: FNBKBYQTWBZZLJ-OHVYPQEBSA-N

Molecular Formula

  • C64-H60-Cl2-N10-O16-P2.C6-H15-N

Molecular Weight

  • 1459.2775
 
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Names and Synonyms

Synonym

  • EINECS 299-399-4

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 93859-61-1

System Generated Number

  • 0093859611

Molecular Formulas

Molecular Formula

  • C64-H60-Cl2-N10-O16-P2.C6-H15-N

Molecular Formula Fragments

  • C6-H15-N
  • C64-H60-Cl2-N10-O16-P2
  • COMPONENT

Structure Descriptors

InChI

1S/C64H60Cl2N10O16P2.C6H15N/c1-38(2)60(77)73-63-72-59-56(62(79)74-63)70-37-76(59)54-32-50(51(87-54)33-85-64(40-13-9-6-10-14-40,41-15-23-45(83-3)24-16-41)42-17-25-46(84-4)26-18-42)92-94(82,90-48-29-21-44(66)22-30-48)86-34-52-49(91-93(80,81)89-47-27-19-43(65)20-28-47)31-53(88-52)75-36-69-55-57(67-35-68-58(55)75)71-61(78)39-11-7-5-8-12-39;1-4-7(5-2)6-3/h5-30,35-38,49-54H,31-34H2,1-4H3,(H,80,81)(H,67,68,71,78)(H2,72,73,74,77,79);4-6H2,1-3H3/t49-,50-,51+,52+,53+,54+,94?;/m0./s1

InChIKey

FNBKBYQTWBZZLJ-OHVYPQEBSA-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)n5cnc6c(NC(=O)c7ccccc7)ncnc56)Oc8ccc(Cl)cc8)n9cnc%10C(=O)NC(=Nc9%10)NC(=O)C(C)C)(c%11ccccc%11)c%12ccc(OC)cc%12