Cinchonidine Sulfate Dihydrate

CAS
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CAS
524-61-8
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Catalog Number

ACM524618

Product Name

Cinchonidine Sulfate Dihydrate

Structure

CAS

524-61-8

Category

Heterocyclic Organic Compound

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;

Molecular Weight

686.868g/mol

Molecular Formula

C38H46N4O6S;

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

Defined Atom Stereocenter Count

EC Number

208-362-3

Exact Mass

686.314g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

686.314g/mol

Rotatable Bond Count

Topological Polar Surface Area

156A^2

UNII

5JT77A1M4W

MSDS

Download MSDS

COA

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Spec Sheet

Download Spec Sheet

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