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English
Ro 3-0422
chemical compound
3-(diethoxyphosphinyloxy)-1-methylquinolinium methylsulfate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical structure
Ro 3-0422.svg
780 × 255; 42 KB
0 references
mass
407.0803742939999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂NO₈PS
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOP(=O)(OCC)Oc1cc2ccccc2[n+](C)c1.COS(=O)(=O)[O-]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H19NO4P.CH4O4S/c1-4-17-20(16,18-5-2)19-13-10-12-8-6-7-9-14(12)15(3)11-13;1-5-6(2,3)4/h6-11H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
0 references
InChIKey
YIGJQDOVGHXIJZ-UHFFFAOYSA-M
0 references
CAS Registry Number
5823-09-6
1 reference
InChIKey
YIGJQDOVGHXIJZ-UHFFFAOYSA-M
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5823-09-6
ChemSpider ID
174347
0 references
PubChem CID
201356
1 reference
matched by identifier from
InChIKey
InChIKey
YIGJQDOVGHXIJZ-UHFFFAOYSA-M
UniChem compound ID
54043889
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80206962
1 reference
matched by identifier from
InChIKey
InChIKey
YIGJQDOVGHXIJZ-UHFFFAOYSA-M
DSSTOX compound identifier
DTXCID10129453
0 references
UNII
C7KH7R89YX
1 reference
matched by identifier from
InChIKey
InChIKey
YIGJQDOVGHXIJZ-UHFFFAOYSA-M
Google Knowledge Graph ID
/g/11grvkbw8l
0 references
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Ro 3-0422
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