Molecule ID: 2576

IUPAC Name: [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate

Description: The molecule is a carbamate ester that is the mono-N-isopropyl derivative of meprobamate (which is a significant metabolite). Carisoprodol interrupts neuronal communication within the reticular formation and spinal cord, resulting in sedation and alteration in pain perception. It is used as a muscle relaxant in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. It has a role as a muscle relaxant.

SMILES: CCCC(C)(COC(=N)O)COC(O)=NC(C)C

SELFIES: [C][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][=Branch1][C][=N][O][C][O][C][Branch1][C][O][=N][C][Branch1][C][C][C]

InChI: InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)

Molecular Properties:
- Polar Surface Area: 90.6 Ų
- LogP: 1.9