S-Nitrosocaptopril

Base Information

• Chemical Name: S-Nitrosocaptopril
• CAS No.: 122130-63-6
• Molecular Formula: C9H14 N2 O4 S
• Molecular Weight: 246.287
• DSSTox Substance ID: DTXSID20153527
• Wikidata: Q83020438
• Mol file: 122130-63-6.mol

Synonyms:S-nitrosocaptopril

Chemical Property of S-Nitrosocaptopril

Chemical Property:

• Vapor Pressure: 3.63E-10mmHg at 25°C
• Boiling Point: 470.9°Cat760mmHg
• Flash Point: 238.6°C
• PSA: 112.34000
• Density: 1.47g/cm³
• LogP: 1.05060
• Storage Temp.: Hygroscopic, Refrigerator, Under inert atmosphere
• Solubility.: DMSO (Slightly), Water (Slightly), Methanol
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 246.06742811
• Heavy Atom Count: 16
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

S-Nitrosocaptopril ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion.
• Hazard Codes: Moderately toxic by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CSN=O)C(=O)N1CCCC1C(=O)O
• Isomeric SMILES: C[C@H](CSN=O)C(=O)N1CCC[C@H]1C(=O)O
• Uses: S-Nitrosocaptopril is an ACE inhibitor and NO donor.

Technology Process of S-Nitrosocaptopril

There total 4 articles about S-Nitrosocaptopril 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:

→ N-(1-naphthyl)ethylenediamine (551-09-7) + S-Nitrosocaptopril (122130-63-6)

Guidance literature:

Reference yield:

disodium hydrogenphosphate + captopril (62571-86-2) → S-Nitrosocaptopril (122130-63-6)

Guidance literature:

With sodium nitrite; In hydrogenchloride;

Reference yield:

captopril (62571-86-2) → S-Nitrosocaptopril (122130-63-6)

Guidance literature:

With oxygen; nitrogen(II) oxide; In water; at 22 ℃; Rate constant; pH=7.4;

DOI:10.1021/ja9536680

upstream raw materials:

captopril

Downstream raw materials:

captopril

Refernces

• 1、 Aquart, Danielle V.,Dasgupta, Tara P.. "The reaction of S-nitroso-N-acetyl-D,L-penicillamine (SNAP) with the angiotensin converting enzyme inhibitor, captopril-mechanism of transnitrosationt". . p. 1640 - 1646. Retrieved 2007/10/03.
• 2、 Nakae,Takahashi,Kinoshita,Matsumoto,Kinoshita. "The effects of S-nitrosocaptopril on canine coronary circulation". . p. 40 - 46. Retrieved 2007/10/03.