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Trandolapril

CAT: 1410-M28471-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M28471-06Size:100 mg
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Description
Trandolapril is an orally administered angiotensin converting enzyme (ACE) inhibitor that is hydrolysed to the active diacid trandolaprilat.
CAS Number
87679-37-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
430.545
Molecular Formula
C24H34N2O5
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Trandolapril

Trandolapril is a heterobicylic compound that is (2S,3aR,7aS)-1-[(2S)-2-aminopropanoyl]octahydro-1H-indole-2-carboxylic acid in which the hydrogen of the amino group is substituted by a (2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl group. It is a angiotensin-converting enzyme inhibitor and a prodrug used for the treatment of hypertension. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, an antihypertensive agent and a prodrug. It is a tertiary carboxamide, an ethyl ester, an organic heterobicyclic compound, a dicarboxylic acid monoester, a dipeptide and a secondary amino compound. It is functionally related to a trandolaprilat.

CAS Number87679-37-6
PubChem CID5484727
IUPAC Name(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular FormulaC24H34N2O5
Molecular Weight430.5
XLogP2
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity633
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O
InChI
InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1
InChIKey
VXFJYXUZANRPDJ-WTNASJBWSA-N
Chemical Structure
2D Structure
2D structure of Trandolapril
CAS: 87679-37-6
CID: 5484727
Formula: C24H34N2O5
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass430.24677219
Monoisotopic Mass430.24677219
Topological Polar Surface Area95.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B3540-10Trandolapril
HY-W744298Trandolapril-d3
HY-B0592S-01Trandolapril-d5
467764-01Trandolapril Hydrochloride
RM-T140207-01Trandolapril D5

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