(8α,9S)-Cinchonan-9-ol
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(8α,9S)-Cinchonan-9-ol
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CAS No:
550-54-9
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Formula:
C19H22N2O
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Chemical Name:
(8α,9S)-Cinchonan-9-ol
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Synonyms:
Cinchonan-9-ol,(8α,9S)-;Epicinchonidine;(8α,9S)-Cinchonan-9-ol;9-epi-Cinchonidine;(+)-9-epi-Cinchonidine;9-Epicinchonidine;1263470-26-3;1273387-40-8;2244812-95-9
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CAS No:
Characteristics
36.4 Ų
2.68 (LogP)
104°
7.44e-04 M
D20 +63° (c = 0.804 in alc):Rabe et al., Ann. 492, 253 (1932)
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 64 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Drug Information
Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585) (See all compounds classified as Antimalarials.)
cinchonine
(8α,9S)-Cinchonan-9-ol Use and Manufacturing
The 9-epimer of Cinchonidine
Cinchonan-9-ol, (9S)-: ACTIVE
Computed Properties
Molecular Weight:294.4
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:294.173213330
Monoisotopic Mass:294.173213330
Topological Polar Surface Area:36.4
Heavy Atom Count:22
Complexity:412
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes