Ciladopa

CAS Registry Number®

80109-27-9
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CAS Name

Ciladopa

Molecular Formula

C21H26N2O4

Molecular Mass

370.44

Cite this Page

Ciladopa.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80109-27-9 (retrieved 2024-04-25) (CAS RN: 80109-27-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122-124 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/m1/s1

InChIKey

InChIKey=SGEKLKJQLHJVDK-LJQANCHMSA-N

SMILES

O=C1C(N2CCN(C[C@@H](O)C3=CC(OC)=C(OC)C=C3)CC2)=CC=CC=C1

Canonical SMILES

O=C1C=CC=CC=C1N2CCN(CC2)CC(O)C3=CC=C(OC)C(OC)=C3

Other Names for this Substance

  • 2,4,6-Cycloheptatrien-1-one, 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-piperazinyl]-
  • 2,4,6-Cycloheptatrien-1-one, 2-[4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-piperazinyl]-, (S)-
  • 2-[4-[(2S)-2-(3,4-Dimethoxyphenyl)-2-hydroxyethyl]-1-piperazinyl]-2,4,6-cycloheptatrien-1-one
  • AY 27110
  • Ciladopa

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