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(Q72460446)
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English
(3R)-3-[[(2R)-Cyclopentylhydroxyphenylacetyl]oxy]-1,1-dimethylpyrrolidinium bromide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical formula
C₁₉H₂₈NO₃·Br
0 references
canonical SMILES
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
0 references
InChIKey
VPNYRYCIDCJBOM-UHFFFAOYSA-M
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
475468-09-8
0 references
PubChem CID
11693
1 reference
matched by identifier from
InChIKey
InChIKey
VPNYRYCIDCJBOM-UHFFFAOYSA-M
521843
1 reference
matched by identifier from
InChIKey
InChIKey
VPNYRYCIDCJBOM-UHFFFAOYSA-M
ChEBI ID
90972
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
SureChEMBL ID
SCHEMBL41436
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VPNYRYCIDCJBOM-UHFFFAOYSA-M
DSSTox substance ID
DTXSID6023109
1 reference
matched by identifier from
InChIKey
InChIKey
VPNYRYCIDCJBOM-UHFFFAOYSA-M
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