Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (9S)-

CAS Registry Number®

69221-14-3
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CAS Name

Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (9S)-

Molecular Formula

C26H29N2O.Cl

Cite this Page

Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (9S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=69221-14-3 (retrieved 2024-04-19) (CAS RN: 69221-14-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    256 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21-,25+,26-,28+;/m0./s1

InChIKey

InChIKey=FCHYSBWCOKEPNQ-QOVGZWAVSA-M

SMILES

C([N@@+]12[C@@]([C@@H](O)C=3C4=C(N=CC3)C=CC=C4)(C[C@@]([C@@H](C=C)C1)(CC2)[H])[H])C5=CC=CC=C5.[Cl-]

Canonical SMILES

[Cl-].OC(C=1C=CN=C2C=CC=CC21)C3CC4CC[N+]3(CC=5C=CC=CC5)CC4C=C

Other Names for this Substance

  • Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (9S)-
  • (+)-1-Benzylcinchoninium chloride
  • 1-Benzylcinchoninium chloride
  • N-Benzylcinchoninium chloride
  • (+)-N-Benzylcinchoninium chloride

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Deleted or Replaced CAS Registry Numbers

123273-00-7, 205441-30-1

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