Zofenopril

Base Information Edit

Chemical Name:Zofenopril
CAS No.:81872-10-8
Molecular Formula:C22H23NO4S2
Molecular Weight:429.561
Hs Code.:
UNII:290ZY759PI
DSSTox Substance ID:DTXSID0046640
Nikkaji Number:J23.314E
Wikipedia:Zofenopril
Wikidata:Q218284
NCI Thesaurus Code:C82219
Pharos Ligand ID:24F96H7T4BMH
Metabolomics Workbench ID:154016
ChEMBL ID:CHEMBL331378
Mol file:81872-10-8.mol

Synonyms:SQ 26900;SQ 26991;SQ-26900;SQ-26991;Zofenil;zofenopril;zofenopril, calcium salt, (1(R*),2alpha,4alpha)-isomer;Zofil

Suppliers and Price of Zofenopril

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
1-Naphthylacetic acid for synthesis
100 g
$ 52.35

Sigma-Aldrich
1-Naphthylacetic acid 1?mg/mL, BioReagent, suitable for plant cell culture
50 mL
$ 16.70

Sigma-Aldrich
1-Naphthylacetic acid for synthesis
500 g
$ 191.47

CSNpharm
Zofenopril
5mg
$ 163.00

ChemScene
Zofenopril 98.81%
5mg
$ 192.00

American Custom Chemicals Corporation
ZOFENOPRIL-D5 95.00%
5MG
$ 502.66

Total 34 raw suppliers

Chemical Property of Zofenopril Edit

Chemical Property:

Vapor Pressure:1.38E-17mmHg at 25°C
Melting Point:129-131.5 °C(lit.)
Refractive Index:1.658
Boiling Point:646.3 °C at 760 mmHg
PKA:pK1:4.236 (25°C)
Flash Point:344.7 °C
PSA：125.28000
Density:1.34 g/cm³
LogP:3.98040
Storage Temp.:2-8°C
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:429.10685056
Heavy Atom Count:29
Complexity:587

Purity/Quality:

99.9% ^*data from raw suppliers

1-Naphthylacetic acid for synthesis ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi
Hazard Codes:Xn,Xi
Statements: 22-37/38-41
Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3
Isomeric SMILES:C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N2C[C@H](C[C@H]2C(=O)O)SC3=CC=CC=C3
Recent ClinicalTrials:Effectiveness and Safety of Combination of Amlodipine and Zofenopril in Hypertensive Patients Versus Each Monotherapy
Recent EU Clinical Trials:Interventional clinical trial to assess efficacy and safety of the extemporaneous combination of Zofenopril calcium and amlodipine in grade 1-2 hypertensive patients versus each monotherapy
Uses Zofenopril-d5 is intended for use as an internal standard for the quantification of Zofenopril by GC- or LC-mass spectrometry.
Therapeutic Function Antihypertensive

Technology Process of Zofenopril

There total 6 articles about Zofenopril which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.0%

: 74654-91-4
3-(benzoylthio)-2(S)-methylpropionyl chloride

: 81653-77-2
(S)-4-phenylthio-L-proline

: 81872-10-8
zofenopril

Guidance literature:: With sodium carbonate; In water; for 1h;
DOI:10.1021/jm00401a014

Reference yield:

: 105107-84-4
C₁₁H₁₃NO₂S*ClH

: 74654-91-4
3-(benzoylthio)-2(S)-methylpropionyl chloride

: 81872-10-8
zofenopril

Guidance literature:: With water; sodium hydrogencarbonate; sodium carbonate; In acetone; at 15 - 20 ℃; pH=8 - 10; Large scale reaction;
DOI:10.1016/j.tetlet.2011.01.102

Reference yield:

: trans-4-phenylthio-L-proline, hydrochloride

: 72679-02-8
(2S)-3-(benzoylthio)-2-methylpropionic acid

: 81872-10-8
zofenopril

Guidance literature:: trans-4-phenylthio-L-proline, hydrochloride; With triethylamine; In toluene; at 25 - 30 ℃; for 1h;

(2S)-3-(benzoylthio)-2-methylpropionic acid; With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In toluene; at 30 - 35 ℃;