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Moveltipril (calcium)

CAT: 0804-HY-105572Size: 1 EachDry Ice: NoHazardous: No
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Description
Moveltipril calcium (MC-838 calcium) is an orally active angiotensin converting enzyme (ACE) inhibitor with antihypertensive activity. Moveltipril calcium binds via a stable thioester bond and exhibits relative resistance to enzymatic hydrolysis in rat liver homogenate. Moveltipril calcium effectively inhibits ACE extracted from rabbit lung in a concentration-dependent manner. Moveltipril calcium is able to highly specifically inhibit the contractile response to angiotensin-I (AI) in free rat aortic rings and guinea pig ileum preparations, while enhancing the contractile response to calcitonin[1].
CAS Number
85921-53-5
Product Name Alternative
MC-838 (calcium)
UNSPSC
12352005
Target
Angiotensin-converting Enzyme (ACE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/moveltipril-calcium.html
Smiles
O=C(C1CCCCC1)N[C@H](C)C(SC[C@@H](C)C(N2[C@@H](CCC2)C([O-])=O)=O)=O.[0.5].[Ca+2]
Molecular Formula
C19H29N2O5S.1/2Ca
Molecular Weight
417.51
References & Citations
[1]MC-838 (altiopril calcium) : a novel orally active angiotensin converting enzyme inhibitor
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Moveltipril Calcium
CAS Number85921-53-5
PubChem CID6917881
IUPAC Namecalcium bis((2S)-1-[(2S)-3-[(2R)-2-(cyclohexanecarbonylamino)propanoyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylate)
Molecular FormulaC38H58CaN4O10S2
Molecular Weight835.1
Topological Polar Surface Area264
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Heavy Atom Count55
Formal Charge0
Complexity571
SMILES
C[C@H](CSC(=O)[C@@H](C)NC(=O)C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)[O-].C[C@H](CSC(=O)[C@@H](C)NC(=O)C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)[O-].[Ca+2]
InChI
InChI=1S/2C19H30N2O5S.Ca/c2*1-12(17(23)21-10-6-9-15(21)18(24)25)11-27-19(26)13(2)20-16(22)14-7-4-3-5-8-14;/h2*12-15H,3-11H2,1-2H3,(H,20,22)(H,24,25);/q;;+2/p-2/t2*12-,13-,15+;/m11./s1
InChIKey
CUZMQPZYCDIHQL-VCTVXEGHSA-L
Chemical Structure
2D Structure
2D structure of Moveltipril Calcium
CAS: 85921-53-5
CID: 6917881
Formula: C38H58CaN4O10S2
MW: 835.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight835.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Exact Mass834.3220273
Monoisotopic Mass834.3220273
Topological Polar Surface Area264 Ų
Heavy Atom Count55
Formal Charge0
Complexity571
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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