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(Q82006842)
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English
2,5,11-trimethyl-5a,6-dihydro-2h-pyrido[4,3-b]carbazol-6-ium acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
322.168127944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₂N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)O.CC1=C2c3ccccc3NC2C(C)=C2C=CN(C)C=C12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H18N2.C2H4O2/c1-11-15-10-20(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)19-18;1-2(3)4/h4-10,18-19H,1-3H3;1H3,(H,3,4)
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InChIKey
PUQIMQQPTVJCFW-UHFFFAOYSA-N
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CAS Registry Number
7150-70-1
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PubChem CID
135450
1 reference
matched by identifier from
InChIKey
InChIKey
PUQIMQQPTVJCFW-UHFFFAOYSA-N
138401523
1 reference
matched by identifier from
InChIKey
InChIKey
PUQIMQQPTVJCFW-UHFFFAOYSA-N
DSSTox substance ID
DTXSID20276361
1 reference
matched by identifier from
InChIKey
InChIKey
PUQIMQQPTVJCFW-UHFFFAOYSA-N
DTXSID80989445
1 reference
matched by identifier from
InChIKey
InChIKey
PUQIMQQPTVJCFW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60227670
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NSC number
72466
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