CAS 1246817-39-9

Phosphoric acid, mono[3-[2-(dimethylamino)ethyl-1,1,2,2-d4]-1H-indol-4-yl] mono(phenylmethyl) ester

Description:

Phosphoric acid, mono[3-[2-(dimethylamino)ethyl-1,1,2,2-d4]-1H-indol-4-yl] mono(phenylmethyl) ester, identified by CAS number 1246817-39-9, is a complex organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This substance features a phosphoric acid moiety, indicating it has acidic properties and can participate in various chemical reactions, particularly those involving phosphorylation. The presence of a dimethylamino group suggests potential basicity and the ability to engage in nucleophilic interactions. The incorporation of deuterated ethyl groups (1,1,2,2-d4) indicates that this compound may be used in studies requiring isotopic labeling, such as tracing mechanisms in biochemical pathways. Additionally, the phenylmethyl ester group contributes to its lipophilicity, potentially influencing its solubility and biological activity. Overall, this compound's unique structural features suggest it may have applications in medicinal chemistry or as a biochemical probe.

Formula: C₁₉H₁₉D₄N₂O₄P

InChI: InChI=1S/C19H23N2O4P/c1-21(2)12-11-16-13-20-17-9-6-10-18(19(16)17)25-26(22,23)24-14-15-7-4-3-5-8-15/h3-10,13,20H,11-12,14H2,1-2H3,(H,22,23)/i11D2,12D2

InChI key: InChIKey=GKAIYZRUCXEQSP-AREBVXNXSA-N

SMILES: O(P(OCC1=CC=CC=C1)(=O)O)C2=C3C(NC=C3C(C(N(C)C)([2H])[2H])([2H])[2H])=CC=C2

Synonyms:

• Benzyl [3-(1,1,2,2-tetradeuterio-2-dimethylaminoethyl)-1H-indol-4-yl] hydrogen phosphate
• Phosphoric acid, mono[3-[2-(dimethylamino)ethyl-1,1,2,2-d4]-1H-indol-4-yl] mono(phenylmethyl) ester

O-Benzyl Psilocybin-d4

Controlled Product

CAS: 1246817-39-9

Formula: C₁₉D₄H₁₉N₂O₄P

Color and Shape: Neat

Molecular weight: 378.395

Ref: TR-B288722