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(Q82890934)
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English
(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate--hydrogen chloride (1/1)
chemical compound
CAR-302,668 HCl
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
339.160121372
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₆ClNO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CCN(CC2)C)O.Cl
0 references
Identifiers
InChI
InChI=1S/C18H25NO3.ClH/c1-14(2)18(21,16-7-5-4-6-8-16)17(20)22-13-15-9-11-19(3)12-10-15;/h4-9,14,21H,10-13H2,1-3H3;1H
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InChIKey
XUJGQKXNYMRRAN-UHFFFAOYSA-N
0 references
CAS Registry Number
93101-83-8
reason for deprecated rank
refers to different subject
intended subject of deprecated statement
CAR-302,668
0 references
93101-28-1
1 reference
stated in
SciFinder
PubChem CID
91798492
1 reference
matched by identifier from
InChIKey
InChIKey
XUJGQKXNYMRRAN-UHFFFAOYSA-N
56555
1 reference
matched by identifier from
InChIKey
InChIKey
XUJGQKXNYMRRAN-UHFFFAOYSA-N
DSSTox substance ID
DTXSID80918699
1 reference
matched by identifier from
InChIKey
InChIKey
XUJGQKXNYMRRAN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID601347645
0 references
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