Hirsutine

CAS Registry Number®

7729-23-9

CAS Name

Hirsutine

Molecular Formula

C22H28N2O3

Molecular Mass

368.47

Cite this Page

Hirsutine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7729-23-9 (retrieved 2024-11-21) (CAS RN: 7729-23-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    101 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1

InChIKey

InChIKey=NMLUOJBSAYAYEM-AZQGJTAVSA-N

SMILES

C(\C(OC)=O)(=C/OC)/[C@H]1C[C@@]2(C3=C(C=4C(N3)=CC=CC4)CCN2C[C@@H]1CC)[H]

Canonical SMILES

O=C(OC)C(=COC)C1CC2C=3NC=4C=CC=CC4C3CCN2CC1CC

Other Names for this Substance

  • Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-α-(methoxymethylene)-, methyl ester, (αE,2S,3R,12bR)-
  • Hirsutine
  • 17,18-Seco-3β-yohimban-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (E)-
  • Corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (3β,16E)-
  • Hirsutine (Mitragyna)

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration