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Substance Name: N-Benzoyl-3'-O-benzoyl-P-(4-chlorophenyl)-2'-deoxycytidylyl-(5'.3')-N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxyadenosine
RN: 74954-53-3
InChIKey: PILKJTVZXJUTER-NTTBXBRASA-N

Molecular Formula

  • C67-H58-Cl-N8-O14-P

Molecular Weight

  • 1265.6642
 
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Names and Synonyms

Synonym

  • EINECS 278-037-9

Systematic Name

  • N-Benzoyl-3'-O-benzoyl-P-(4-chlorophenyl)-2'-deoxycytidylyl-(5'.3')-N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxyadenosine

Registry Numbers

CAS Registry Number

  • 74954-53-3

System Generated Number

  • 0074954533

Structure Descriptors

InChI

1S/C67H58ClN8O14P/c1-82-50-29-23-47(24-30-50)67(46-21-13-6-14-22-46,48-25-31-51(83-2)32-26-48)84-39-55-54(38-59(86-55)76-42-71-60-61(69-41-70-62(60)76)74-64(78)44-17-9-4-10-18-44)90-91(81,89-52-33-27-49(68)28-34-52)85-40-56-53(88-65(79)45-19-11-5-12-20-45)37-58(87-56)75-36-35-57(73-66(75)80)72-63(77)43-15-7-3-8-16-43/h3-36,41-42,53-56,58-59H,37-40H2,1-2H3,(H,69,70,74,78)(H,72,73,77,80)/t53-,54-,55+,56+,58+,59+,91?/m0/s1

InChIKey

PILKJTVZXJUTER-NTTBXBRASA-N

Smiles

COc1ccc(cc1)C(OC[C@H]2O[C@H](C[C@@H]2OP(=O)(OC[C@H]3O[C@H](C[C@@H]3OC(=O)c4ccccc4)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