Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1) (salt)
CAS Registry Number®
752-72-7
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CAS Name
Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1) (salt)Molecular Formula
C20H24N2O2.1/2C6H8O7Cite this Page
Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1) (salt). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=752-72-7 (retrieved ) (CAS RN: 752-72-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H24N2O2.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t13-,14-,19-,20+;/m0./s1
InChIKey
InChIKey=UTYDQRYLTPTQGW-DSXUQNDKSA-N
SMILES
[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].C(CC(O)=O)(CC(O)=O)(C(O)=O)O
Canonical SMILES
O=C(O)CC(O)(C(=O)O)CC(=O)O.OC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C=C)C4
Other Names for this Substance
- Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1) (salt)
- Quinine, citrate (2:1) (salt)
