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(Q76156339)
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English
(2,6-dimethoxyphenyl)-[(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-6-yl]methanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
367.17835828
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₂H₂₅NO₄
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canonical SMILES
COc1cccc(OC)c1C(=O)N1CCOC2c3ccccc3CCCC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC1=C(C(=CC=C1)OC)C(=O)N2CCO[C@@H]3[C@@H]2CCCC4=CC=CC=C34
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Identifiers
InChI
InChI=1S/C22H25NO4/c1-25-18-11-6-12-19(26-2)20(18)22(24)23-13-14-27-21-16-9-4-3-7-15(16)8-5-10-17(21)23/h3-4,6-7,9,11-12,17,21H,5,8,10,13-14H2,1-2H3/t17-,21-/m0/s1
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InChIKey
PDYIPMBWEDMEJD-UWJYYQICSA-N
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CAS Registry Number
105124-65-0
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PubChem CID
3064632
1 reference
matched by identifier from
InChIKey
InChIKey
PDYIPMBWEDMEJD-UWJYYQICSA-N
UniChem compound ID
43124028
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20146974
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
PDYIPMBWEDMEJD-UWJYYQICSA-N
DSSTOX compound identifier
DTXCID5069465
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