Oxmetidine

CAS Registry Number®

72830-39-8

CAS Name

Oxmetidine

Molecular Formula

C19H21N5O3S

Molecular Mass

399.47

Cite this Page

Oxmetidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72830-39-8 (retrieved 2024-11-22) (CAS RN: 72830-39-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H21N5O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25)

InChIKey

InChIKey=YTBDPHYVGACIPC-UHFFFAOYSA-N

SMILES

C(C=1C=C2C(=CC1)OCO2)C=3C(=O)NC(NCCSCC=4NC=NC4C)=NC3

Canonical SMILES

O=C1NC(=NC=C1CC2=CC=C3OCOC3=C2)NCCSCC=4NC=NC4C

Other Names for this Substance

  • 4(3H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]amino]-
  • 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]-
  • 5-(1,3-Benzodioxol-5-ylmethyl)-2-[[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]amino]-4(3H)-pyrimidinone
  • Oxmetidine
  • SKF 92994

Deleted or Replaced CAS Registry Numbers

76822-82-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration