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Imidaprilat

CAT: 1299-RM-I131801-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I131801-02Size:25 mg
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CAS Number
89371-44-8
Synonyms
(S) -3- ((S) -2- (((S) -1-carboxy-3-phenylpropyl) amino) propanoyl) -1-methyl-2-oxoimidazolidine-4-carboxylic acid
Molecular Formula
C18H23N3O6
Molecular Weight
377.39
Target Alternative Name
Imidapril
Product Name Synonym
(S) -3- ((S) -2- (((S) -1-carboxy-3-phenylpropyl) amino) propanoyl) -1-methyl-2-oxoimidazolidine-4-carboxylic acid

Chemical Information

Imidaprilat

Imidaprilat is a member of the class of imidazolidines that is imidapril in which the ethyl ester group has been hydrolysed to the corresponding acid group. It is the active metabolite of imidapril used to treat hypertension. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, an antihypertensive agent and a drug metabolite. It is a dicarboxylic acid, a member of imidazolidines, a dipeptide, a secondary amino compound and a N-acylurea. It is functionally related to an imidapril.

CAS Number89371-44-8
PubChem CID5464344
IUPAC Name(4S)-3-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
Molecular FormulaC18H23N3O6
Molecular Weight377.4
XLogP-1.4
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity590
SMILES
C[C@@H](C(=O)N1[C@@H](CN(C1=O)C)C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1
InChIKey
VFAVNRVDTAPBNR-UBHSHLNASA-N
Chemical Structure
2D Structure
2D structure of Imidaprilat
CAS: 89371-44-8
CID: 5464344
Formula: C18H23N3O6
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass377.15868546
Monoisotopic Mass377.15868546
Topological Polar Surface Area127 Ų
Heavy Atom Count27
Formal Charge0
Complexity590
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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Alternative Products

CatalogName
TRC-I275050-10MGImidaprilat
TRC-I275052-1MGImidaprilat-d3
AR-I01373-01Imidaprilat-d5
014755Imidaprilat Benzyl Ester, (Carbonylimidazolidine) tert-butyl Ester
MBS6027382-01Imidaprilat Benzyl Ester, (Carbonylimidazolidine)tert-butyl Ester
014756Imidaprilat Benzyl Ester, (Carbonylimidazolidine) tert-butyl Ester-d3
MBS6068343-01Imidaprilat Benzyl Ester, (Carbonylimidazolidine)tert-butyl Ester-d3
I0785-01Imidaprilat ((4S) -3-{ (2S) -2-[N- ((1S) -1-Carboxy-3-phenylpropyl) amino]propionyl}-1-methyl-2-oxoimidazolidine-4-carboxylic Acid, Imidapril Diacid)
MBS6111183-01Imidaprilat ((4S)-3-{(2S)-2-[N-((1S)-1-Carboxy-3-phenylpropyl)amino]propionyl}-1-methyl-2-oxoimidazolidine-4-carboxylic Acid, Imidapril Diacid)
MBS6080700-01Imidaprilat-d3 ((4S)-3-{(2S)-2-[N-((1S)-1-Carboxy-3-phenyl-d3-propyl)amino]propionyl}-1-methyl-2-oxoimidazolidine-4-carboxylic Acid, Imidapril Diacid-d5)

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