Bupropion

WELLBUTRIN · Bupivacaine I · BUPROPION HYDROCHLORIDE 31667-93-7 · 2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-one · 1-(3-chlorophenyl)-2-(tert-butylamino)propan-1-one

https://huagongshe.com/ja/chemical/444

識別子と物理属性

CAS No.	144445-75-0
分子式	C13H18ClNO
平均分子量	239.74 g/mol
単同位体質量	239.10769188 g/mol
SMILES	CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
InChIKey	SNPPWIUOZRMYNY-UHFFFAOYSA-N
PubChem CID	444
ChEMBL	CHEMBL894
ChEBI	CHEBI:3219
DTXSID	DTXSID7022706

化学・物理的性質

XLogP	3.2
極性表面積	29.1
水素結合供与体数	1
水素結合受容体数	2
回転可能結合数	4
重原子数	16
形式電荷	0
複雑度	247
物質分類	Pharmaceutical
医薬品	DEA NFLIS-Drug Category -> AntidepressantsPharmaceuticals -> Used in SwitzerlandPharmaceuticals -> AntidepressantsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP（分配係数）	3.0
Color/Form	Pale yellow oil
溶解度	Very hygroscopic and susceptible to decompositionSoluble in methanol, ethanol, acetone, ether, benzene
Human Drugs	Antidepressants -> Norepinephrine and dopamine reuptake inhibitors (NDRI)Breast FeedingLactationMilk, HumanAntidepressive AgentsAntidepressive Agents, Second-GenerationDopamine Uptake InhibitorsSmoking Cessation AgentsPharmaceuticalsMedicines for nicotine use disorders
沸点	BP: 52 °C at 0.005 mm Hg
融点	233-234 °C
Physical Description	Solid
Stability/Shelf Life	Stable under recommended storage conditions.
Dissociation Constants	8.358.2
Collision Cross Section	158.6 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6044561]156.04 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]157.5 Å² [M+H]+ [CCS Type: TW157.8 Å² [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]

安全性と法規制

GHS 分類	WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
FDA 要件	The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including bupropion hydrobromide, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Bupropion hydrobromide/The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including bupropion hydrochloride, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Bupropion hydrochloride/
Hazardous Reactivities and Incompatibilities	Incompatible materials: Strong oxidizing agents.
Firefighting Hazards	Special hazards arising from the substance or mixture: Carbon oxides, nitrogen oxides (NOx), hydrogen chloride gas.
消火手順	Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.
保管条件	Conventional tablets of bupropion hydrochloride should be stored at a temperature of 15-25 °C and protected from light and moisture.1 Extended-release, film-coated tablets of bupropion hydrochloride (e.g., Wellbutrin SR, Zyban) should be stored in tight, light-resistant containers at a temperature of 20-25 °C.142 143 Wellbutrin XL extended-release tablets should be stored at a temperature of 25 °C, but may be exposed to temperatures ranging from 15-30 °C.Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place.
清掃方法	Accidental Release Measures. Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Avoid breathing dust. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.

用途

使用

enteric coating