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Delapril hydrochloride

CAT: 0931-T3281-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T3281-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83435-67-0
Target
RAAS, Angiotensin-converting Enzyme (ACE)
Related Pathways
Endocrinology/Hormones, Metabolism
Purity
0.9924
Bioactivity
Delapril hydrochloride (indalapril) is a prodrug; it is converted into two active metabolites, 5-hydroxy delapril diacid and delapril diacid. These metabolites bind completely to and inhibit angiotensin-converting enzyme (ACE), hence blocking angiotensin I to angiotensin II conversion.
Smiles
Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(O)=O)C1Cc2ccccc2C1
Molecular Formula
C26H33ClN2O5
Molecular Weight
489.01
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Delapril Hydrochloride

Delapril hydrochloride is a peptide.

CAS Number83435-67-0
PubChem CID5362115
IUPAC Name2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid;hydrochloride
Molecular FormulaC26H33ClN2O5
Molecular Weight489.0
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity649
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2.Cl
InChI
InChI=1S/C26H32N2O5.ClH/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22;/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30);1H/t18-,23-;/m0./s1
InChIKey
FDJCVHVKXFIEPJ-JCNFZFLDSA-N
Chemical Structure
2D Structure
2D structure of Delapril Hydrochloride
CAS: 83435-67-0
CID: 5362115
Formula: C26H33ClN2O5
MW: 489.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass488.2077999
Monoisotopic Mass488.2077999
Topological Polar Surface Area95.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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