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(Q56867856)
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English
(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
group of stereoisomers
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default for all languages
No label defined
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
294.17321332399996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₂N₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
1 reference
stated in
PubChem
retrieved
3 October 2018
title
Cinchonine
(English)
PubChem CID
2724372
isomeric SMILES
C=C[C@H]1CN2CCC1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O
1 reference
stated in
PubChem
retrieved
3 October 2018
title
Cinchonine
(English)
PubChem CID
2724372
Identifiers
InChI
InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14?,18+,19-/m0/s1
1 reference
stated in
PubChem
retrieved
3 October 2018
title
Cinchonine
(English)
PubChem CID
2724372
InChIKey
KMPWYEUPVWOPIM-FGVBSWQGSA-N
1 reference
stated in
PubChem
retrieved
3 October 2018
title
Cinchonine
(English)
PubChem CID
2724372
CAS Registry Number
118-10-5
reason for deprecated rank
applies to other chemical entity
intended subject of deprecated statement
Cinchonine
0 references
PubChem CID
2724372
2 references
stated in
PubChem
retrieved
3 October 2018
title
Cinchonine
(English)
PubChem CID
2724372
matched by identifier from
InChIKey
InChIKey
KMPWYEUPVWOPIM-FGVBSWQGSA-N
UniChem compound ID
1071974
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fiocruz-FIO00478
0 references
MSBNK-Fiocruz-FIO00479
0 references
MSBNK-Fiocruz-FIO00480
0 references
MSBNK-Fiocruz-FIO00481
0 references
MSBNK-Fiocruz-FIO00482
0 references
SPLASH
splash10-0002-0090000000-d6680104be2f81c5cc99
0 references
splash10-0002-0290000000-0f924e2497fa5c2a9e74
0 references
splash10-05pp-0940000000-7d1da979c71fc72791d6
0 references
splash10-05o3-0910000000-edfec7e5e9bb0f5c3d46
0 references
splash10-0002-1960000000-41231e16d148edeba69b
0 references
DSSTox substance ID
DTXSID6045082
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID4025082
0 references
NSC number
6176
0 references
757801
0 references
Probes And Drugs ID
PD078273
0 references
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