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Chemical structure of Temocapril HCl

GC17034

Temocapril HCl

Also known as 2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid;hydrochloride

Temocapril HCl is an orally active angiotensin-converting enzyme (ACE) inhibitor

ChemicalCAS110221-44-8MW513.07FormulaC23H28N2O5S2·HCl
CAS number
110221-44-8
Molecular weight
513.07
Formula
C23H28N2O5S2·HCl
Solubility
≥ 13·25mg/mL in DMSO
InChIKey
XDDQNOKKZKHBIX-ASBZXGSUSA-N
Catalogue number
GC17034
Brand
GLPBIO
Computed properties PubChem CID 443873 · TPSA 149 Ų · H-bond donors 3 · H-bond acceptors 8
TPSA
149 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
33

SMILES CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)C3=CC=CS3.Cl

Computed descriptors from PubChem (CID 443873), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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