Cas no 303137-00-0 (QUININE SULFATE SALT MONOHYDRATE)
303137-00-0 structure
Product Name:QUININE SULFATE SALT MONOHYDRATE
CAS No:303137-00-0
MF:C20H28N2O7S
MW:440.510524749756
CID:299424
PubChem ID:25092826
Update Time:2025-04-19
QUININE SULFATE SALT MONOHYDRATE Chemical and Physical Properties
Names and Identifiers
-
- QUININE SULFATE SALT MONOHYDRATE
- (8α,9R)-6'-methoxycinchonan-9-ol sulfate hydrate (2:1:1)
- cinchonan<wbr>
- LogP
- SMR000875238
- QUININESULFATESALTMONOHYDRATE
- MLS002153491
- SCHEMBL1953944
- (R)-(6-Methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol sulfate hydrate(2:1:2)
- HMS2234N12
- TCMDC-123939
- Quinine hemisulfate hydrate
- MLS001332396
- 6119-70-6
- CHEMBL589001
- C20H28N2O7S
- 303137-00-0
- MLS001332395
- quinine sulfuric acid hydrate
- AKOS040762264
-
- Inchi： 1S/C20H24N2O2.H2O4S.H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);1H2/t13-,14-,19-,20+;;/m0../s1
- InChI Key： ZYCWGZVLCXRARB-HZQSTTLBSA-N
- SMILES： S(=O)(=O)(O)O.O[C@H](C1C=CN=C2C=CC(=CC=12)OC)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C.O
Computed Properties
- Exact Mass: 440.162
- Monoisotopic Mass: 440.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 30
- Rotatable Bond Count: 4
- Complexity: 538
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 130A^2
Experimental Properties
- Melting Point: ~225?°C (dec.)(lit.)
QUININE SULFATE SALT MONOHYDRATE Related Literature
-
Jeremy B. Essner,Richard N. McCay,Chip J. Smith II,Stephen M. Cobb,Charles H. Laber,Gary A. Baker J. Mater. Chem. B 2016 4 2163
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