CAS 6183-68-2
:Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, sulfate, hydrate (1:1:7)
Description:
Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, sulfate, hydrate (1:1:7) is a chemical compound derived from cinchona alkaloids, which are known for their medicinal properties, particularly in treating malaria. This compound features a complex structure characterized by a cinchona backbone with a methoxy group at the 6' position and a sulfate group, which contributes to its solubility and biological activity. The (8α,9R) stereochemistry indicates specific spatial arrangements of atoms that can influence the compound's pharmacological effects. As a hydrate, it contains water molecules in its crystalline structure, which can affect its stability and solubility. The CAS number 6183-68-2 uniquely identifies this substance in chemical databases, facilitating research and regulatory processes. Overall, this compound is of interest in medicinal chemistry due to its potential therapeutic applications and the intricate interplay of its structural features.
Formula:C20H24N2O2·H2O4S·7H2O
InChI:InChI=1S/C20H24N2O2.H2O4S.H2O/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);1H2/t13-,14-,19-,20+;;/m0../s1
InChI key:InChIKey=ZYCWGZVLCXRARB-HZQSTTLBSA-N
SMILES:S(=O)(=O)(O)O.[C@@H](O)(C=1C2=C(C=CC(OC)=C2)N=CC1)[C@]3([N@@]4C[C@H](C=C)[C@](C3)(CC4)[H])[H].O
Synonyms:- (8alpha,9R)-6'-methoxycinchonan-9-ol sulfate hydrate (1:2:7)
- Cinchonan-9-ol, 6'-methoxy-, (8-alpha,9R)-, sulfate (1:1) (salt), heptahydrate (9CI)
- Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, sulfate (1:1) (salt), heptahydrate
- Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, sulfate, hydrate (1:1:7)
- Quinine sulfate heptahydrate
- Quinine, sulfate (1:1) (salt), heptahydrate
- Quinine bisulfate heptahydrate
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