Benzenemethanol, α-phenyl-α-[3-(1-pyrrolidinyl)-1-propynyl]-, phosphate (1:1) (salt)

CAS Registry Number®

54118-66-0

CAS Name

Benzenemethanol, α-phenyl-α-[3-(1-pyrrolidinyl)-1-propynyl]-, phosphate (1:1) (salt)

Molecular Formula

C20H21NO.H3O4P

Cite this Page

Benzenemethanol, α-phenyl-α-[3-(1-pyrrolidinyl)-1-propynyl]-, phosphate (1:1) (salt).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54118-66-0 (retrieved 2024-11-22) (CAS RN: 54118-66-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H21NO.H3O4P/c22-20(18-10-3-1-4-11-18,19-12-5-2-6-13-19)14-9-17-21-15-7-8-16-21;1-5(2,3)4/h1-6,10-13,22H,7-8,15-17H2;(H3,1,2,3,4)

InChIKey

InChIKey=KJRDQHIYWCTNTN-UHFFFAOYSA-N

SMILES

P(=O)(O)(O)O.C(C#CCN1CCCC1)(O)(C2=CC=CC=C2)C3=CC=CC=C3

Canonical SMILES

O=P(O)(O)O.OC(C#CCN1CCCC1)(C=2C=CC=CC2)C=3C=CC=CC3

Other Names for this Substance

  • Benzenemethanol, α-phenyl-α-[3-(1-pyrrolidinyl)-1-propynyl]-, phosphate (1:1) (salt)
  • Butinoline phosphate
  • 1-(4-Hydroxy-4,4-diphenylbut-2-ynyl)pyrrolidinium dihydrogen phosphate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration