3′-Adenylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1)
CAS Registry Number®
85381-22-2
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CAS Name
3′-Adenylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1)Molecular Formula
C44H39ClN5O9P.C6H15NCite this Page
3′-Adenylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=85381-22-2 (retrieved ) (CAS RN: 85381-22-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C44H39ClN5O9P.C6H15N/c1-54-33-21-17-31(18-22-33)44(30-13-7-4-8-14-30,32-19-23-34(55-2)24-20-32)56-26-38-37(59-60(52,53)58-36-16-10-9-15-35(36)45)25-39(57-38)50-28-48-40-41(46-27-47-42(40)50)49-43(51)29-11-5-3-6-12-29;1-4-7(5-2)6-3/h3-24,27-28,37-39H,25-26H2,1-2H3,(H,52,53)(H,46,47,49,51);4-6H2,1-3H3/t37-,38+,39+;/m0./s1
InChIKey
InChIKey=XXIZMUHIFMWQIY-LCSGNJSRSA-N
SMILES
C(OC[C@@H]1[C@@H](OP(OC2=C(Cl)C=CC=C2)(=O)O)C[C@@H](O1)N3C=4C(N=C3)=C(NC(=O)C5=CC=CC=C5)N=CN4)(C6=CC=C(OC)C=C6)(C7=CC=C(OC)C=C7)C8=CC=CC=C8.N(CC)(CC)CC
Canonical SMILES
O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(OP(=O)(O)OC=7C=CC=CC7Cl)C3)C=8C=CC=CC8.N(CC)(CC)CC
Other Names for this Substance
- 3′-Adenylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, mono(2-chlorophenyl) ester, compd. with N,N-diethylethanamine (1:1)
- Ethanamine, N,N-diethyl-, 2-chlorophenyl N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-3′-adenylate
