Anisodine

CAS Registry Number®

52646-92-1

CAS Name

Anisodine

Molecular Formula

C17H21NO5

Molecular Mass

319.35

Cite this Page

Anisodine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52646-92-1 (retrieved 2024-11-22) (CAS RN: 52646-92-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    199.5-200 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H21NO5/c1-18-12-7-11(8-13(18)15-14(12)23-15)22-16(20)17(21,9-19)10-5-3-2-4-6-10/h2-6,11-15,19,21H,7-9H2,1H3/t11-,12-,13+,14-,15+,17-/m1/s1

InChIKey

InChIKey=JEJREKXHLFEVHN-VJDHNPKBSA-N

SMILES

CN1[C@@]2([C@]3([C@](O3)([C@]1(C[C@@H](OC([C@](CO)(O)C4=CC=CC=C4)=O)C2)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1CC2N(C)C(C1)C3OC32)C(O)(C=4C=CC=CC4)CO

Other Names for this Substance

  • Benzeneacetic acid, α-hydroxy-α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, (αS)-
  • Benzeneacetic acid, α-hydroxy-α-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, [7(S)-(1α,2β,4β,5α,7β)]-
  • 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, benzeneacetic acid deriv.
  • Anisodine
  • α-Hydroxyscopolamine

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration