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Cinchonidine Dihydrochloride

CAT: 0572-TRC-C475868-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C475868-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
524-54-9
Hazard Statement
No Data Available
Smiles
Cl.Cl.O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34
Molecular Formula
C19H22N2O . 2HCl
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Cinchonidine dihydrochloride
CAS Number524-54-9
PubChem CID45073521
IUPAC Name(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;dihydrochloride
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.3
Topological Polar Surface Area36.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity412
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O.Cl.Cl
InChI
InChI=1S/C19H22N2O.2ClH/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;2*1H/t13-,14-,18-,19+;;/m0../s1
InChIKey
ZDBQDNUZNQOCTH-WESSAKMQSA-N
Chemical Structure
2D Structure
2D structure of Cinchonidine dihydrochloride
CAS: 524-54-9
CID: 45073521
Formula: C19H24Cl2N2O
MW: 367.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass366.1265688
Monoisotopic Mass366.1265688
Topological Polar Surface Area36.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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