Cinchonidine sulphate

Cinchonidine sulphate

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Catalog Number ACM524618-1
CAS Number 524-61-8
Structure
Synonyms Methanol sulfate dihydrate
Molecular Weight 686.9
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+;/m0./s1
InChI Key WBBHOISPYYYBTC-IDJJGHEZSA-N
Purity 98%+
Complexity 494
Covalently-Bonded Unit Count 3
Defined Atom Stereocenter Count 8
Exact Mass 686.31380637
Heavy Atom Count 49
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 4
Isomeric SMILES C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O.OS(=O)(=O)O
Monoisotopic Mass 686.31380637
PhysicalState Solid
Rotatable Bond Count 6
Topological Polar Surface Area 156 Ų

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