Optochin

CAS Registry Number®

522-60-1

CAS Name

Optochin

Molecular Formula

C21H28N2O2

Molecular Mass

340.46

Cite this Page

Optochin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=522-60-1 (retrieved 2024-11-22) (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

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