Optochin
CAS Registry Number®
522-60-1
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CAS Name
OptochinMolecular Formula
C21H28N2O2Molecular Mass
340.46Cite this Page
Optochin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=522-60-1 (retrieved ) (CAS RN: 522-60-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
123-128 °C
Source(s)
- (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1S/C21H28N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3/t14-,15-,20-,21+/m0/s1
InChIKey
InChIKey=SUWZHLCNFQWNPE-LATRNWQMSA-N
SMILES
[C@@H](O)(C=1C2=C(C=CC(OCC)=C2)N=CC1)[C@]3([N@@]4C[C@H](CC)[C@](C3)(CC4)[H])[H]
Canonical SMILES
OC(C=1C=CN=C2C=CC(OCC)=CC21)C3N4CCC(C3)C(C4)CC
Other Names for this Substance
- Cinchonan-9-ol, 6′-ethoxy-10,11-dihydro-, (8α,9R)-
- Hydrocupreine, O6′-ethyl-
- Hydrocupreine, ethyl ether
- Hydrocinchonidine, 6′-ethoxy-
- (8α,9R)-6′-Ethoxy-10,11-dihydrocinchonan-9-ol
