Quinidine sulfate

C20H26N2O6SCAS 50-54-4422.50 g/mol

Open in Covalent MOL file
NHONOOSOOHHO
AlcoholAlkeneEtherTertiary amine

Properties

Molecular formula
C20H26N2O6S
Molar mass
422.50 g/mol
Exact mass
422.1512 Da
logP
2.52Crippen estimate
Polar surface area
120.2 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
4
Stereocentres
R, S, R, Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P316, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number
50-54-4
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=S(=O)(O)O
InChIKey
AKYHKWQPZHDOBW-VJAUXQICSA-N
InChI
InChI=1S/C20H24N2O2.H2O4S/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)/t13-,14-,19+,20-;/m0./s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Cinchonan-9-ol, 6′-methoxy-, (9S)-, sulfate (2:1)
  • Quinidine, sulfate (2:1) (salt)
  • Cinchonan-9-ol, 6′-methoxy-, (9S)-, sulfate (2:1) (salt)
  • Quinicardine
  • Quinidate
  • Quinidex
  • Quinidine monosulfate
  • Chinidine sulfate
  • Quinidine sulphate
  • Quinora
  • Systodin
  • NSC 10004
  • (9S)-6′-Methoxycinchonan-9-ol sulfate (2:1)

Work with Quinidine 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.

Quinine sulfate dihydrate6119-70-6Hydrate, diastereomer Quinidine sulfate dihydrate6591-63-5Hydrate Quinine130-95-0Free base, diastereomer Quinidine56-54-2Free base Quinine sulfate804-63-7Diastereomer Quinine bisulfate549-56-4Diastereomer Quinine hydrochloride130-89-2Salt, diastereomer (-)-Quinine dihydrochloride60-93-5Salt, diastereomer Quinine hydrochloride dihydrate6119-47-7Salt, diastereomer

Similar compounds

Cinchonidine sulfate524-61-874 % similar Cinchonine sulfate5949-16-674 % similar Dihydroquinidine1435-55-865 % similar Dihydroquinine522-66-765 % similar Cinchonine118-10-563 % similar Cinchonidine485-71-263 % similar Cinchonine hydrochloride24302-67-860 % similar 1,4-Bis(dihydroquinidine)phthalazine140853-10-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook