Carbazeran

Base Information

• Chemical Name: Carbazeran
• CAS No.: 70724-25-3
• Molecular Formula: C₁₈H₂₄N₄O₄
• Molecular Weight: 360.413
• Hs Code.: 2933990090
• European Community (EC) Number: 804-246-7
• UNII: 0N4I6K95P2
• DSSTox Substance ID: DTXSID00220983
• Nikkaji Number: J18.755K
• Wikidata: Q27236989
• NCI Thesaurus Code: C76027
• ChEMBL ID: CHEMBL77131
• Mol file: 70724-25-3.mol

Synonyms:carbazeran

Chemical Property of Carbazeran

Chemical Property:

• Vapor Pressure: 3.75E-14mmHg at 25°C
• Refractive Index: 1.6
• Boiling Point: 595.598 °C at 760 mmHg
• PKA: 12.72±0.46(Predicted)
• Flash Point: 314.006 °C
• PSA: 85.81000
• Density: 1.271 g/cm³
• LogP: 2.81780
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ≥2mg/mL at warmed
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 360.17975526
• Heavy Atom Count: 26
• Complexity: 459

Purity/Quality:

98%,99%, ^*data from raw suppliers

Carbazeran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)OC1CCN(CC1)C2=NN=CC3=CC(=C(C=C32)OC)OC
• Uses: Carbazeran is a phosphodiesterase inhibitor drug. Carbazeran shows chronotropic and inotropic effects.

Technology Process of Carbazeran

There total 2 articles about Carbazeran 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:

4-(N-ethylcarbamoyloxy)piperidine (70724-24-2) + 1-chloro-6,7-dimethoxyphthalazine (70724-23-1) → Carbazeran (70724-25-3)

Guidance literature:

In methanol; i-Amyl alcohol; chloroform; water; ethyl acetate; acetonitrile;

Reference yield:

→ Carbazeran (70724-25-3)

Guidance literature:

entspr. Chlordimethoxyphthalazin, entspr. Piperidin;

Reference yield:

uridine diphosphate glucuronic acid (106864-00-0,14520-48-0,30329-32-9,3545-73-1,5918-40-1) + Carbazeran (70724-25-3) → 4-hydroxycarbazeran (96724-43-5) + C24H33N4O10(1+)

Guidance literature:

With carbon dioxide; oxygen; alamethicin; at 37 ℃; for 4h; pH=7.4; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1002/rcm.4621

upstream raw materials:

4-(N-ethylcarbamoyloxy)piperidine

1-chloro-6,7-dimethoxyphthalazine

Downstream raw materials:

4-hydroxycarbazeran

Refernces