2-Hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl 2-(4-chlorophenoxy)acetate

CAS Registry Number®

54504-71-1

CAS Name

2-Hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl 2-(4-chlorophenoxy)acetate

Molecular Formula

C18H19ClN4O6

Molecular Mass

422.82

Cite this Page

2-Hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl 2-(4-chlorophenoxy)acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54504-71-1 (retrieved 2024-11-22) (CAS RN: 54504-71-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H19ClN4O6/c1-21-16-15(17(26)22(2)18(21)27)23(10-20-16)7-12(24)8-29-14(25)9-28-13-5-3-11(19)4-6-13/h3-6,10,12,24H,7-9H2,1-2H3

InChIKey

InChIKey=YMCNTAHTWKEECY-UHFFFAOYSA-N

SMILES

C(C(COC(COC1=CC=C(Cl)C=C1)=O)O)N2C3=C(N=C2)N(C)C(=O)N(C)C3=O

Canonical SMILES

O=C(OCC(O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C)COC3=CC=C(Cl)C=C3

Other Names for this Substance

  • Acetic acid, 2-(4-chlorophenoxy)-, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester
  • Acetic acid, (4-chlorophenoxy)-, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester
  • 2-Hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl 2-(4-chlorophenoxy)acetate
  • ML 1035
  • ML 1035 (hypolipemic agent)

CAS INSIGHTSTM
Targeted protein degrader structure, illustration