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(Q82943706)
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English
6-Chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
group of stereoisomers with the chemical formula C₁₇H₁₉Cl₂N
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
307.089454968
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₉Cl₂N
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1C(c2ccccc2)c2cc(Cl)ccc2CN1C.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1C(c2ccccc2)c2cc(Cl)ccc2CN1C.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H18ClN.ClH/c1-12-17(13-6-4-3-5-7-13)16-10-15(18)9-8-14(16)11-19(12)2;/h3-10,12,17H,11H2,1-2H3;1H/t12-,17?;/m0./s1
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InChIKey
ZSKVJELBWINZHA-HSQRQWGBSA-N
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CAS Registry Number
41958-58-1
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DSSTox substance ID
DTXSID90962108
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DSSTOX compound identifier
DTXCID101389921
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