Cinchonine sulfate

C19H24N2O5SCAS 5949-16-6392.47 g/mol

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NHONOSOOHHO
AlcoholAlkeneTertiary amine

Properties

Molecular formula
C19H24N2O5S
Molar mass
392.47 g/mol
Exact mass
392.1406 Da
Density
1.46 g/mL
logP
2.51Crippen estimate
Polar surface area
111.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
3
Stereocentres
R, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
5949-16-6
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12.O=S(=O)(O)O
InChIKey
KFHZMXDENPHHOU-BKUXTCEESA-N
InChI
InChI=1S/C19H22N2O.H2O4S/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;1-5(2,3)4/h2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)/t13-,14-,18+,19-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names
  • Cinchonan-9-ol, (9S)-, sulfate (2:1)
  • Cinchonine, sulfate (2:1) (salt)
  • Cinchonan-9-ol, (9S)-, sulfate (2:1) (salt)

Work with Cinchonine sulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cinchonidine485-71-2Free base, diastereomer Cinchonine118-10-5Free base Cinchonidine sulfate524-61-8Diastereomer Cinchonine hydrochloride24302-67-8Salt

Similar compounds

Quinidine sulfate50-54-474 % similar Quinine bisulfate549-56-474 % similar Quinine sulfate804-63-774 % similar Quinine sulfate dihydrate6119-70-671 % similar Quinidine sulfate dihydrate6591-63-571 % similar Quinine130-95-063 % similar Quinidine56-54-263 % similar Quinine hydrochloride130-89-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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