(13S,16aS)-1,4,5,6,7,8,9,10,11,13,14,16a-Dodecahydro-13-[(1S)-1-hydroxypropyl]pyrido[2,1-d][1,5,9]triazacyclotridecin-2(3H)-one

CAS Registry Number®

22324-44-3

CAS Name

(13S,16aS)-1,4,5,6,7,8,9,10,11,13,14,16a-Dodecahydro-13-[(1S)-1-hydroxypropyl]pyrido[2,1-d][1,5,9]triazacyclotridecin-2(3H)-one

Molecular Formula

C17H31N3O2

Molecular Mass

309.45

Cite this Page

(13S,16aS)-1,4,5,6,7,8,9,10,11,13,14,16a-Dodecahydro-13-[(1S)-1-hydroxypropyl]pyrido[2,1-d][1,5,9]triazacyclotridecin-2(3H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22324-44-3 (retrieved 2024-11-22) (CAS RN: 22324-44-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    205-210 °C

  • Melting Point (2)

    121 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H31N3O2/c1-2-16(21)15-8-5-7-14-13-17(22)19-11-4-3-9-18-10-6-12-20(14)15/h5,7,14-16,18,21H,2-4,6,8-13H2,1H3,(H,19,22)

InChIKey

InChIKey=YBZUGUWOQLUNKD-UHFFFAOYSA-N

SMILES

C(CC)(O)C1N2C(C=CC1)CC(=O)NCCCCNCCC2

Canonical SMILES

O=C1NCCCCNCCCN2C(C=CCC2C(O)CC)C1

Other Names for this Substance

  • Pyrido[2,1-d][1,5,9]triazacyclotridecin-2(3H)-one, 1,4,5,6,7,8,9,10,11,13,14,16a-dodecahydro-13-[(1S)-1-hydroxypropyl]-, (13S,16aS)-
  • Pyrido[2,1-d][1,5,9]triazacyclotridecin-2(3H)-one, 1,4,5,6,7,8,9,10,11,13,14,16a-dodecahydro-13-(1-hydroxypropyl)-, [13S-[13R*(R*),16aR*]]-
  • (13S,16aS)-1,4,5,6,7,8,9,10,11,13,14,16a-Dodecahydro-13-[(1S)-1-hydroxypropyl]pyrido[2,1-d][1,5,9]triazacyclotridecin-2(3H)-one
  • Palustrine
  • (+)-Palustrine

Deleted or Replaced CAS Registry Numbers

1360-21-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration