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Chemical structure of Acrivastine D7

GC60563

Acrivastine D7

Also known as (E)-3-[6-[(E)-3-pyrrolidin-1-yl-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enoic acid

Acrivastine D7 (BW825C D7) is a deuterium labeled Acrivastine

ChemicalCAS172165-56-9MW355.48FormulaC22H17D7N2O2
CAS number
172165-56-9
Molecular weight
355.48
Formula
C22H17D7N2O2
InChIKey
PWACSDKDOHSSQD-XQHWGIKSSA-N
Catalogue number
GC60563
Brand
GLPBIO
Computed properties PubChem CID 10428303 · XLogP 1.6 · TPSA 53.4 Ų · H-bond donors 1
XLogP
1.6
TPSA
53.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26

SMILES [2H]C1=C(C(=C(C(=C1/C(=C\CN2CCCC2)/C3=CC=CC(=N3)/C=C/C(=O)O)[2H])[2H])C([2H])([2H])[2H])[2H]

Computed descriptors from PubChem (CID 10428303), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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