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Substance Name: EINECS 286-751-7
RN: 85381-23-3
InChIKey: VCIONPOAFUCPQZ-MTZJFBNSSA-N

Molecular Formula

  • C41-H41-Cl-N5-O10-P.C6-H15-N

Molecular Weight

  • 946.4333
 
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Names and Synonyms

Results Name

  • EINECS 286-751-7

Synonym

  • EINECS 286-751-7

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85381-23-3

System Generated Number

  • 0085381233

Molecular Formulas

Molecular Formula

  • C41-H41-Cl-N5-O10-P.C6-H15-N

Molecular Formula Fragments

  • C41-H41-Cl-N5-O10-P
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C41H42ClN6O10P.C6H15N/c1-24(2)37(49)45-33-35(58-59(51,52)57-31-13-9-8-12-30(31)42)32(56-39(33)48-23-44-34-36(48)46-40(43)47-38(34)50)22-55-41(25-10-6-5-7-11-25,26-14-18-28(53-3)19-15-26)27-16-20-29(54-4)21-17-27;1-4-7(5-2)6-3/h5-21,23-24,32-33,35,39H,22H2,1-4H3,(H,45,49)(H,51,52)(H3,43,46,47,50);4-6H2,1-3H3/t32-,33-,35-,39-;/m1./s1

InChIKey

VCIONPOAFUCPQZ-MTZJFBNSSA-N

Smiles

CCN(CC)CC.COc1ccc(cc1)C(OC[C@H]2O[C@H]([C@H](NC(=O)C(C)C)[C@@H]2OP(=O)(O)Oc3ccccc3Cl)n4cnc5C(=O)NC(=Nc45)N)(c6ccccc6)c7ccc(OC)cc7