CAS
52460-10-1 Purity
96%
52460-10-1 Purity
96%
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Cinchonidine Sulfate Dihydrate
CAS
524-61-8
Catalog Number
ACM524618
Category
Other Products
Molecular Weight
686.868g/mol
Molecular Formula
C38H46N4O6S;
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Specification
Synonyms
MFCD00067565; 2C19H22N2O.H₂SO₄; Cinchonidine sulphate; 5JT77A1M4W; EINECS 208-362-3; 5098AF; PubChem7958; Cinchonidine, sulfate (2:1) (salt);
IUPAC Name
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;sulfuric acid;
Canonical SMILES
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.OS(=O)(=O)O;
InChI
InChI=1S/2C19H22N2O.H₂O4S/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)/t2*13-,14-,18-,19+;/m00./s1;
InChI Key
WBBHOISPYYYBTC-IDJJGHEZSA-N;
Complexity
494
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
8
EC Number
208-362-3
Exact Mass
686.314g/mol
H-Bond Acceptor
10
H-Bond Donor
4
Heavy Atom Count
49
Monoisotopic Mass
686.314g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
156A^2
UNII
5JT77A1M4W
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