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Cinchonine hydrochloride

CAT: 1410-M31800Size: 1 EachDry Ice: NoHazardous: No
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Description
Cinchonine hydrochloride is a natural product for research related to life sciences.
CAS Number
5949-11-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
330.85
Molecular Formula
C19H23ClN2O
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Cinchonine Hydrochloride

See also: Cinchonine (has active moiety).

CAS Number5949-11-1
PubChem CID90453
IUPAC Name(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;hydrochloride
Molecular FormulaC19H23ClN2O
Molecular Weight330.8
Topological Polar Surface Area36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
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
InChI
InChI=1S/C19H22N2O.ClH/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;1H/t13-,14-,18+,19-;/m0./s1
InChIKey
IMUHWLVEEVGMBC-BKUXTCEESA-N
Chemical Structure
2D Structure
2D structure of Cinchonine Hydrochloride
CAS: 5949-11-1
CID: 90453
Formula: C19H23ClN2O
MW: 330.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass330.1498911
Monoisotopic Mass330.1498911
Topological Polar Surface Area36.4 Ų
Heavy Atom Count23
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 Count2
Compound Is CanonicalizedYes

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