Psychotrine

CAS Registry Number®

7633-29-6

CAS Name

Psychotrine

Molecular Formula

C28H36N2O4

Molecular Mass

464.60

Cite this Page

Psychotrine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7633-29-6 (retrieved 2024-11-21) (CAS RN: 7633-29-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H36N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,24,31H,5-11,16H2,1-4H3/t17-,20-,24-/m0/s1

InChIKey

InChIKey=NCALAYAMQHIWMN-REIDKSKDSA-N

SMILES

C([C@H]1C[C@]2(C=3C(=CC(OC)=C(OC)C3)CCN2C[C@@H]1CC)[H])C=4C=5C(=CC(O)=C(OC)C5)CCN4

Canonical SMILES

OC1=CC2=C(C=C1OC)C(=NCC2)CC3CC4C5=CC(OC)=C(OC)C=C5CCN4CC3CC

Other Names for this Substance

  • 6-Isoquinolinol, 1-[[(2R,3R,11bS)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-3,4-dihydro-7-methoxy-
  • Emetan-6′-ol, 1′,2′-didehydro-7′,10,11-trimethoxy-
  • Psychotrine
  • 2H-Benzo[a]quinolizine, emetan-6′-ol deriv.
  • 1-[[(2R,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-3,4-dihydro-7-methoxy-6-isoquinolinol

Deleted or Replaced CAS Registry Numbers

107982-58-1, 117-75-9, 1369-16-0, 47745-19-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration