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Substance Name: EINECS 278-845-1
RN: 78111-53-2
InChIKey: SSJDCNLERPXPIT-DTVMXBHISA-N

Molecular Formula

  • C67-H63-Cl2-N11-O16-P2

Molecular Weight

  • 1411.1497
 
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Names and Synonyms

Results Name

  • EINECS 278-845-1

Synonym

  • EINECS 278-845-1

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78111-53-2

System Generated Number

  • 0078111532

Structure Descriptors

InChI

1S/C67H63Cl2N11O16P2/c1-41(2)63(81)77-66-76-62-59(65(83)78-66)74-40-80(62)57-34-52(54(91-57)36-88-67(43-18-9-6-10-19-43,44-24-28-46(86-3)29-25-44)45-26-30-47(87-4)31-27-45)96-98(85,94-51-23-14-12-21-49(51)69)90-37-55-53(95-97(84,89-33-15-32-70)93-50-22-13-11-20-48(50)68)35-56(92-55)79-39-73-58-60(71-38-72-61(58)79)75-64(82)42-16-7-5-8-17-42/h5-14,16-31,38-41,52-57H,15,33-37H2,1-4H3,(H,71,72,75,82)(H2,76,77,78,81,83)/t52-,53-,54+,55+,56+,57+,97?,98?/m0/s1

InChIKey

SSJDCNLERPXPIT-DTVMXBHISA-N

Smiles

CC(C)C(=O)Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(c4ccccc4)(c5ccc(cc5)OC)c6ccc(cc6)OC)OP(=O)(OC[C@@H]7[C@H](C[C@@H](O7)n8cnc9c8ncnc9NC(=O)c1ccccc1)OP(=O)(OCCC#N)Oc1ccccc1Cl)Oc1ccccc1Cl