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Cinchonidine Dihydrochloride

CAT: 1489-C0260-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1489-C0260-01Size:1 g
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CAS Number
24302-67-8
Purity
0.98

Chemical Information

Cinchonine Hydrochloride

See also: Cinchonine (has active moiety).

CAS Number24302-67-8
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: 24302-67-8
CID: 90453
Formula: C19H23ClN2O
MW: 330.8
Interactive 3D Structure
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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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Alternative Products

CatalogName
TRC-C475868-250MGCinchonidine Dihydrochloride
CS-T-72561Cinchonidine

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