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English
Phellodendrine chloride
group of stereoisomers with the chemical formula C₂₀H₂₄NO₄·Cl
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
377.139385928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄NO₄·Cl
0 references
canonical SMILES
COc1cc2c(cc1[O-])C1Cc3cc(O)c(OC)cc3C[N+]1(C)CC2.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1cc2c(cc1[O-])[C@@H]1Cc3cc(O)c(OC)cc3C[N+]1(C)CC2.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H23NO4.ClH/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21;/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23);1H/t16-,21?;/m0./s1
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InChIKey
DGLDSNPMIYUWGN-OOJQBDKLSA-N
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CAS Registry Number
104112-82-5
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DSSTox substance ID
DTXSID70908802
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DSSTOX compound identifier
DTXCID801337876
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Probes And Drugs ID
PD087889
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