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(Q83124770)
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English
(9S)-9-Hydroxy-6'-methoxycinchonanium thiocyanate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
383.16674804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₅N₃O₂S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.N#CS
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12.N#CS
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H24N2O2.CHNS/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2-1-3/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3H/t13?,14?,19?,20-;/m0./s1
0 references
InChIKey
UEAGLYAZUNBAOV-CMBGXTLHSA-N
0 references
CAS Registry Number
94248-97-2
0 references
PubChem CID
71300540
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
43339323
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10241306
0 references
DSSTOX compound identifier
DTXCID70163797
0 references
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