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Substance Name: N-Benzoyl-3'-O-benzoyl-P-(p-chlorophenyl)-2'-deoxyadenylyl-(5'.3')-N-benzoyl-5'-O-(bis(p-methoxyphenyl)phenylmethyl)-2'-deoxyadenosine
RN: 83161-04-0
InChIKey: WUAXWPINFWQZOW-UCPBPVMDSA-N

Molecular Formula

  • C68-H58-Cl-N10-O13-P

Molecular Weight

  • 1289.6902
 
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Names and Synonyms

Synonym

  • EINECS 280-203-0

Systematic Name

  • N-Benzoyl-3'-O-benzoyl-P-(p-chlorophenyl)-2'-deoxyadenylyl-(5'.3')-N-benzoyl-5'-O-(bis(p-methoxyphenyl)phenylmethyl)-2'-deoxyadenosine

Registry Numbers

CAS Registry Number

  • 83161-04-0

System Generated Number

  • 0083161040

Structure Descriptors

InChI

1S/C68H58ClN10O13P/c1-84-50-29-23-47(24-30-50)68(46-21-13-6-14-22-46,48-25-31-51(85-2)32-26-48)86-37-55-54(36-58(88-55)79-42-75-60-62(71-40-73-64(60)79)77-66(81)44-17-9-4-10-18-44)92-93(83,91-52-33-27-49(69)28-34-52)87-38-56-53(90-67(82)45-19-11-5-12-20-45)35-57(89-56)78-41-74-59-61(70-39-72-63(59)78)76-65(80)43-15-7-3-8-16-43/h3-34,39-42,53-58H,35-38H2,1-2H3,(H,70,72,76,80)(H,71,73,77,81)/t53-,54-,55+,56+,57+,58+,93?/m0/s1

InChIKey

WUAXWPINFWQZOW-UCPBPVMDSA-N

Smiles

COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5ncnc6NC(=O)c7ccccc7)OP(=O)(OC[C@@H]8[C@H](C[C@@H](O8)n9cnc1c9ncnc1NC(=O)c1ccccc1)OC(=O)c1ccccc1)Oc1ccc(cc1)Cl