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(Q82561645)
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English
Benzyl 3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]propanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
505.2464378399999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₃₀H₃₅NO₆
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canonical SMILES
COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CCC(=O)OCc2ccccc2)cc1OC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC1=C(C=C(C=C1)C[C@@H]2C3=CC(=C(C=C3CCN2CCC(=O)OCC4=CC=CC=C4)OC)OC)OC
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Identifiers
InChI
InChI=1S/C30H35NO6/c1-33-26-11-10-22(17-27(26)34-2)16-25-24-19-29(36-4)28(35-3)18-23(24)12-14-31(25)15-13-30(32)37-20-21-8-6-5-7-9-21/h5-11,17-19,25H,12-16,20H2,1-4H3/t25-/m1/s1
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InChIKey
DVFOFXJFZUMRFZ-RUZDIDTESA-N
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CAS Registry Number
1075726-78-1
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PubChem CID
25155112
1 reference
matched by identifier from
InChIKey
InChIKey
DVFOFXJFZUMRFZ-RUZDIDTESA-N
UniChem compound ID
27802334
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60648907
1 reference
matched by identifier from
InChIKey
InChIKey
DVFOFXJFZUMRFZ-RUZDIDTESA-N
DSSTOX compound identifier
DTXCID10599657
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