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Chemical structure of O-desmethyl Mebeverine acid D5

GC30397

O-desmethyl Mebeverine acid D5

Also known as 4-[1-(4-hydroxyphenyl)propan-2-yl-(1,1,2,2,2-pentadeuterioethyl)amino]butanoic acid

O-Desmethyl Mebeverine acid D5 is the deuterium labeled O-desmethyl Mebeverine acid

ChemicalCAS1329488-46-1MW270.38FormulaC15H18D5NO3
CAS number
1329488-46-1
Molecular weight
270.38
Formula
C15H18D5NO3
Solubility
Soluble in DMSO
InChIKey
DJTCBAFIXOMULT-WNWXXORZSA-N
Catalogue number
GC30397
Brand
GLPBIO
Computed properties PubChem CID 71315761 · XLogP 0.2 · TPSA 60.8 Ų · H-bond donors 2
XLogP
0.2
TPSA
60.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
19

SMILES [2H]C([2H])([2H])C([2H])([2H])N(CCCC(=O)O)C(C)CC1=CC=C(C=C1)O

Computed descriptors from PubChem (CID 71315761), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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