(-)-Narcotoline

CAS Registry Number®

521-40-4

CAS Name

(-)-Narcotoline

Molecular Formula

C21H21NO7

Molecular Mass

399.39

Cite this Page

(-)-Narcotoline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=521-40-4 (retrieved 2024-11-22) (CAS RN: 521-40-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    202 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1

InChIKey

InChIKey=LMGZCSKYOKDBES-AEFFLSMTSA-N

SMILES

CN1[C@@]([C@@]2(C=3C(C(=O)O2)=C(OC)C(OC)=CC3)[H])(C4=C(C=C5C(=C4O)OCO5)CC1)[H]

Canonical SMILES

O=C1OC(C2=CC=C(OC)C(OC)=C12)C3C4=C(O)C=5OCOC5C=C4CCN3C

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (3S)-
  • Narcotoline
  • 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-
  • 1,3-Dioxolo[4,5-g]isoquinoline, 1(3H)-isobenzofuranone deriv.
  • (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration