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Pentopril

CAT: 0013-GTR19211347-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211347-01Size:25 mg
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Description
Pentopril is a small molecule angiotensin-converting enzyme (ACE) inhibitor. It is utilized in biochemical research to study hypertension and cardiovascular pathophysiology, serving as a tool compound in both in vitro enzymatic assays and in vivo animal models.
CAS Number
82924-03-6
Smiles
C ([C@@H] (C[C@H] (C (OCC) =O) C) C) (=O) N1C=2C (C[C@H]1C (O) =O) =CC=CC2
Molecular Formula
C18H23NO5
Molecular Weight
333.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pentopril

Pentopril is a small molecule drug. The usage of the INN stem '-pril' in the name indicates that Pentopril is a angiotensin-converting enzyme inhibitor. Pentopril has a monoisotopic molecular weight of 333.16 Da.

CAS Number82924-03-6
PubChem CID6917815
IUPAC Name(2S)-1-[(2R,4R)-5-ethoxy-2,4-dimethyl-5-oxopentanoyl]-2,3-dihydroindole-2-carboxylic acid
Molecular FormulaC18H23NO5
Molecular Weight333.4
XLogP2.6
Topological Polar Surface Area83.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity492
SMILES
CCOC(=O)[C@H](C)C[C@@H](C)C(=O)N1[C@@H](CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C18H23NO5/c1-4-24-18(23)12(3)9-11(2)16(20)19-14-8-6-5-7-13(14)10-15(19)17(21)22/h5-8,11-12,15H,4,9-10H2,1-3H3,(H,21,22)/t11-,12-,15+/m1/s1
InChIKey
NVXFXLSOGLFXKQ-JMSVASOKSA-N
Chemical Structure
2D Structure
2D structure of Pentopril
CAS: 82924-03-6
CID: 6917815
Formula: C18H23NO5
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass333.15762283
Monoisotopic Mass333.15762283
Topological Polar Surface Area83.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity492
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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