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Spirapril

CAT: 0013-GTR19192588-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192588-01Size:25 mg
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Description
Spirapril HCl
CAS Number
83647-97-6
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C ([C@@H] (N[C@@H] (CCC1=CC=CC=C1) C (OCC) =O) C) (=O) N2CC3 (C[C@H]2C (O) =O) SCCS3
Molecular Formula
C22H30N2O5S2
Molecular Weight
466.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Spirapril

Spirapril is an azaspiro compound resulting from the formal condensation of the amino group of (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid with the carboxy group of N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanine. It is a prodrug for the antihypertensive drug spiraprilat. 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 azaspiro compound, a dicarboxylic acid monoester, a dipeptide, a pyrrolidinecarboxylic acid, a secondary amino compound and a dithioketal. It is functionally related to a spiraprilat.

CAS Number83647-97-6
PubChem CID5311447
IUPAC Name(8S)-7-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
Molecular FormulaC22H30N2O5S2
Molecular Weight466.6
XLogP0.9
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity650
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)O)SCCS3
InChI
InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1
InChIKey
HRWCVUIFMSZDJS-SZMVWBNQSA-N
Chemical Structure
2D Structure
2D structure of Spirapril
CAS: 83647-97-6
CID: 5311447
Formula: C22H30N2O5S2
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass466.15961441
Monoisotopic Mass466.15961441
Topological Polar Surface Area147 Ų
Heavy Atom Count31
Formal Charge0
Complexity650
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

Related Products

CatalogName
GTR19224769-01Spiraprilat

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CatalogName
HY-A0230Spirapril
MBS5784197Spirapril HCl
T63425-01Spirapril hydrochloride
HY-A0230ASpirapril (hydrochloride)
TRC-S682530-25MGN-Nitroso Spirapril

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