Genatropin

Base Information

• Chemical Name: Genatropin
• CAS No.: 4438-22-6
• Molecular Formula: C17H23 N O4
• Molecular Weight: 305.374
• NSC Number: 72861
• DSSTox Substance ID: DTXSID20859870
• ChEMBL ID: CHEMBL177828,CHEMBL1988984
• Mol file: 4438-22-6.mol

Synonyms:Genatropin;Xtro, base;NSC72861;Atropini oxidum;Atropina ossida [DCIT];Atropine-oxyde [INN-French];Atropini oxydum [INN-Latin];Oxido de atropina [INN-Spanish];NSC 72861;BENZENEACETIC ACID, A-(HYDROXYMETHYL)-,8-METHYL-8-OXIDO-8-AZABICYCLO[3.2.1]OCT-3-YL ESTER, ENDO-;ATROPINE, N-OXIDE;8-Azabicyclo(3.2.1)octan-3alpha-ol, 8-methyl-, 8-oxide, tropate;NSC-72861;1.alpha.H, 8-oxide;Benzeneacetic acid, N-oxide;SCHEMBL98985;1alphaH,5alphaH-Tropan-3alpha-ol (+-)-tropate (ester), 8-oxide;CHEMBL177828;1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol (.+.)-tropate (ester), 8-oxide;CHEMBL1988984;DTXSID20859870;Benzeneacetic acid, .alpha.-(hydroxymethyl)- 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester endo-(.+.)-, N-oxide;Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+-)-, N-oxide;Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-oxido-8-azabicyclo(3.2.1)oct-3-yl ester, endo-;AKOS024323321;NCI60_041584;LS-158067;SR-01000944245;SR-01000944245-1;8-Azabicyclo[3.2.1]octan-3.alpha.-ol, 8-oxide, tropate;8-hydroxy-8-methyl-85-azabicyclo[3.2.1]oct-3-yl tropate;8-Methyl-8-oxo-8lambda~5~-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate

Chemical Property of Genatropin

Chemical Property:

• Melting Point: 127-128°
• Boiling Point: °Cat760mmHg
• PKA: 14.10±0.10(Predicted)
• Flash Point: °C
• PSA: 75.96000
• Density: g/cm³
• LogP: 1.90230
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 305.16270821
• Heavy Atom Count: 22
• Complexity: 394

Purity/Quality:

99% ^*data from raw suppliers

ATROPINEOXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)[O-]

Technology Process of Genatropin

There total 4 articles about Genatropin 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:

Atropine (51-55-8) + dihydrogen peroxide (7722-84-1) → Tropic acid (529-64-6,28845-94-5) + tropic acid-(8-oxy-tropan-3-yl ester) (4438-22-6,5627-14-5,56362-73-3,56362-74-4,61476-78-6,61476-79-7)

Guidance literature:

Reference yield:

Atropine (51-55-8) → atropine N?oxide (4438-22-6)

Guidance literature:

With potassium hydrogen persulfate; In aq. buffer; at 19.84 ℃; for 0.25h; pH=10.5; Reagent/catalyst; pH-value; Kinetics;

DOI:10.1007/s11696-021-01638-3

Reference yield:

L-tropic acid-(8-oxy-tropane-3endo-yl ester) (5627-14-5) → atropine N?oxide (4438-22-6)

Guidance literature:

durch Racemisierung;

upstream raw materials:

Atropine

dihydrogen peroxide

L-tropic acid-(8-oxy-tropane-3endo-yl ester)

Downstream raw materials:

Atropine

Refernces