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Chemical structure of Trandolapril D5

GC64874

Trandolapril D5

Also known as (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

Trandolapril D5 (RU44570 D5) is a deuterium labeled Trandolapril (RU44570)

ChemicalCAS1356847-98-7MW435.57FormulaC24H29D5N2O5
CAS number
1356847-98-7
Molecular weight
435.57
Formula
C24H29D5N2O5
InChIKey
VXFJYXUZANRPDJ-YFCLCGKXSA-N
Catalogue number
GC64874
Brand
GLPBIO
Computed properties PubChem CID 45040561 · XLogP 2 · TPSA 95.9 Ų · H-bond donors 2
XLogP
2
TPSA
95.9 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
31

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O)[2H])[2H]

Computed descriptors from PubChem (CID 45040561), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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