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Chemical structure of Doxylamine D5 succinate

GC30496

Doxylamine D5 succinate

Also known as butanedioic acid;N,N-dimethyl-2-[1-(2,3,4,5,6-pentadeuteriophenyl)-1-pyridin-2-ylethoxy]ethanamine

Doxylamine D5 succinate is deuterium labeled Doxylamine, which is a first generation antihistamine

ChemicalCAS1216840-94-6MW393.49FormulaC21H23D5N2O5
CAS number
1216840-94-6
Molecular weight
393.49
Formula
C21H23D5N2O5
Solubility
Soluble in DMSO
InChIKey
KBAUFVUYFNWQFM-NBTFKYQWSA-N
Catalogue number
GC30496
Brand
GLPBIO
Computed properties PubChem CID 46781432 · TPSA 100 Ų · H-bond donors 2 · H-bond acceptors 7
TPSA
100 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
28

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C(C)(C2=CC=CC=N2)OCCN(C)C)[2H])[2H].C(CC(=O)O)C(=O)O

Computed descriptors from PubChem (CID 46781432), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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