Basic information
- CAS
83-75-0- Standard SMILES
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12- InChIKey
NSBRKSWSLRQPJW-FRMGNDQPSA-N- Molecular formula
- C23H28N2O4
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.20490738
Overview
See also: Quinine Ethylcarbonate (annotation moved to).
Names & identifiers
- Preferred name
- Ethyl quinine carbonate
- IUPAC
- [(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] ethyl carbonate
- English name
- EUQUININE
- Molecular formula
- C23H28N2O4
- Molecular weight
- 396.48
Names & synonyms
Ethyl quinine carbonateSR-05000001977quinine-ethyl-carbonateSpectrum_001229Spectrum2_001913Spectrum3_001342Spectrum4_000126Spectrum5_000734BSPBio_003123KBioGR_000512KBioSS_001709SPECTRUM310050
Show more names
EuquininEuchinineEUQUININEtastless quinineQUININE CARBONIC ETHERQUININE ETHYL CARBONATEEuquinine, 10 mM in DMSO(8α,9R)-6'-Methoxycinchonan-9-ol ethoxyformateQuinine, ethyl carbonate (ester) (6CI, 7CI, 8CI)
DivK1c_000700SPBio_001906CHEMBL3039178SCHEMBL13587299HMS502C22KBio1_000700KBio2_001709KBio2_004277
Database identifiers
- CAS
83-75-0- PubChem CID
- 5702001
- ChEMBL
CHEMBL3039178
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 585
Experimental & physicochemical properties
Collision Cross Section196.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 94 · 94-95 °C
- Boiling point
- 526.3 · 526.3±50.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 79 mg/mL · DMSO: 79 mg/mL (199.25 mM);Ethanol: 79 mg/mL (199.25 mM)
- pka
- 8.84 · 8.84±0.70(Predicted)
- Water Solubility
- Water: Insoluble
- FDA UNII
- 2 V8911157 · L2V8911157
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
- RIDADR
- 1544 · 1544
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 1544
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesEuquinine is an odorless salt that can be used as a substitute for quinine. Euquinine has anti-Plasmodium falciparum activity. Euquinine can be used for the study of multidrug resistance and bioavailability of Plasmodium falciparum [1].
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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