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(9S)-9-Hydroxy-6-methoxycinchonanium lactate

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Name

(9S)-9-Hydroxy-6-methoxycinchonanium lactate

EINECS 285-705-3
CAS No. 85135-84-8 Density N/A
PSA 107.15000 LogP 1.44240
Solubility N/A Melting Point N/A
Formula C23H30N2O5 Boiling Point 635.5 °C at 760 mmHg
Molecular Weight 414.4947 Flash Point 338.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 85135-84-8 ((9S)-9-hydroxy-6'-methoxycinchonanium lactate) Hazard Symbols N/A
Synonyms

Quinidine lactate;

 

(9S)-9-Hydroxy-6-methoxycinchonanium lactate Specification

The (9S)-9-Hydroxy-6-methoxycinchonanium lactate, with the CAS registry number 85135-84-8, is also known as Quinidine lactate. Its EINECS registry number is 285-705-3. This chemical's molecular formula is C23H30N2O5 and molecular weight is 414.4947. What's more, its systematic name is called 2-Hydroxypropanoic acid -(9S)-6'-methoxycinchonan-9-ol (1:1).

Physical properties about (9S)-9-Hydroxy-6-methoxycinchonanium lactate are: (1) ACD/LogP: 2.74; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 7; (4) #H bond donors: 3; (5) #Freely Rotating Bonds: 7; (6) Polar Surface Area: 103.12 Å2; (7) Flash Point: 338.1 °C; (8) Enthalpy of Vaporization: 98.7 kJ/mol; (9) Boiling Point: 635.5 °C at 760 mmHg; (10) Vapour Pressure: 5.06E-17 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)C(C)O.COc1cc2c(cc1)nccc2[C@H](O)[C@H]4C[C@@H]3CC[N@]4C[C@@H]3C=C
(2) InChI: InChI=1/C20H24N2O2.C3H6O3/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;1-2(4)3(5)6/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2,4H,1H3,(H,5,6)/t13-,14-,19+,20-;/m0./s1
(3) InChIKey: ZIDGEHZBXVXPFQ-VJAUXQICBP

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