Lobelanidine

CAS Registry Number®

552-72-7

CAS Name

Lobelanidine

Molecular Formula

C22H29NO2

Molecular Mass

339.47

Cite this Page

Lobelanidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=552-72-7 (retrieved 2024-11-27) (CAS RN: 552-72-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    150 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20+,21-,22+

InChIKey

InChIKey=OWGJQNXIWMMDTH-COPRSSIGNA-N

SMILES

C([C@@H](O)C1=CC=CC=C1)[C@@H]2N(C)[C@H](C[C@H](O)C3=CC=CC=C3)CCC2

Canonical SMILES

OC(C=1C=CC=CC1)CC2N(C)C(CCC2)CC(O)C=3C=CC=CC3

Other Names for this Substance

  • 2,6-Piperidinediethanol, 1-methyl-α,α′-diphenyl-, (αR,α′S,2R,6S)-rel-
  • Lobelanidine
  • 2,6-Piperidinediethanol, 1-methyl-α,α′-diphenyl-, [2α(R*),6α(S*)]-
  • rel-(αR,α′S,2R,6S)-1-Methyl-α,α′-diphenyl-2,6-piperidinediethanol
  • 8,10-Diphenyllobelidiol

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