Psychotrine
CAS Registry Number®
7633-29-6
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CAS Name
PsychotrineMolecular Formula
C28H36N2O4Molecular Mass
464.60Cite 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 ) (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