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Chemical structure of Amlodipine-d4

GC76036

Amlodipine-d4

Also known as 3-O-ethyl 5-O-methyl 2-[(2-amino-1,1,2,2-tetradeuterioethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Amlodipine-d4 is a deuterium labeled Amlodipine

ChemicalCAS1185246-14-3MW412.9FormulaC20H21D4ClN2O5
CAS number
1185246-14-3
Molecular weight
412.9
Formula
C20H21D4ClN2O5
Solubility
DMSO： 31·25 mg/mL (75·68 mM; Need ultrasonic and warming)
InChIKey
HTIQEAQVCYTUBX-YQUBHJMPSA-N
Catalogue number
GC76036
Brand
GLPBIO
Computed properties PubChem CID 45358917 · XLogP 3 · TPSA 99.9 Ų · H-bond donors 2
XLogP
3
TPSA
99.9 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
28

SMILES [2H]C([2H])(C([2H])([2H])OCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2Cl)C(=O)OCC)N

Computed descriptors from PubChem (CID 45358917), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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