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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 2284作成日：2026年10月27日

バクロフェン

ギャバロン · (±)-バクロフェン · β-(4-クロロフェニル)GABA · dl-バクロフェン · バクロフェン · リオレサール · ガバロン · 4-アミノ-3-(4-クロロフェニル)酪酸

https://huagongshe.com/ja/chemical/2284

バクロフェン の分子構造式

識別子と物理属性

CAS No.1134-47-0
分子式C10H12ClNO2
平均分子量213.66 g/mol
単同位体質量213.0556563 g/mol
SMILESNCC(CC(=O)O)c1ccc(Cl)cc1
InChIKeyKPYSYYIEGFHWSV-UHFFFAOYSA-N
PubChem CID2284
ChEMBLCHEMBL701
ChEBICHEBI:2972
EC No.214-486-9
DTXSIDDTXSID5022641
現地名バクロフェン

化学・物理的性質

XLogP-1
極性表面積63.3
水素結合供与体数2
水素結合受容体数3
回転可能結合数4
重原子数14
形式電荷0
複雑度191
医薬品Pharmaceuticals
LogP（分配係数）1.3
溶解度less than 1 mg/mL at 64 °F (NTP, 1992)7.12e-01 g/L1 M HCl: 50 mg/mL希NaOHまたは希HClに可溶。 pH 7.6 で約 4mg/ml で水に可溶
Human DrugsBreast FeedingLactationMilk, HumanGABA AgonistsMuscle Relaxants, CentralFDA approved drugs -> Active ingredientPharmaceuticalsMedicines for cerebral palsy
融点372 to 376 °F (NTP, 1992)206 - 208 °C208-210°C
Physical DescriptionBaclofen appears as odorless or practically odorless white to off-white crystalline powder. (NTP, 1992)Solid
Dissociation Constants9.62 + 0.1 (amino group) and 3.87 + 0.1 (carboxyl group)
Collision Cross Section143 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]149.2 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]
沸点364.3±32.0 °C(Predicted)
密度1.2069 (rough estimate)
屈折率1.5500 (estimate)
貯蔵条件2-8°C
外観・状態個体
pKa（酸解離定数）pKa 3.87±0.1(H2O) (Uncertain)
色白色からわずかに黄色
Merck14,937
安定性Hygroscopic
InChIInChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
InChIKeyKPYSYYIEGFHWSV-UHFFFAOYSA-N
SMILESC1(C=CC(Cl)=CC=1)C(CN)CC(=O)O
CAS データベース1134-47-0(CAS DataBase Reference)
NISTの化学物質情報Baclofen(1134-47-0)
EPAの化学物質情報.beta.-(Aminomethyl)-4-chlorobenzenepropanoic acid (1134-47-0)

化学的特性

Off-White Solid

安全性と法規制

GHS 分類DangerH301 (93.1%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報Baclofen: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報IMAP assessments - Benzenepropanoic acid, .beta.-(aminomethyl)-4-chloro-: Human health tier I assessment
輸送ラベル（DOT）Poison
火災危険Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
健康有害性SYMPTOMS: Symptoms of exposure to this compound via ingestion may include drowsiness, insomnia, dizziness, weakness, mental confusion, nausea, constipation, anorexia, urinary retention, impotence, nystagmus, diplopia and incoordination. Ingestion may lead to cholinergic effects and lassitude. It may also lead to ataxia. Other symptoms due to ingestion may include impaired renal function, fatigue, headache, hypotension, urinary frequency, rash, pruritis, ankle edema, excessive perspiration, weight gain, nasal congestion, and rarely, euphoria, excitement, depression, hallucinations, paresthesia, muscle pain, tinnitus, slurred speech, tremor, rigidity, dystonia, blurred vision, strabismus, miosis, mydriasis, dysarthia, epileptic seizure, dyspnea, palpitation, chest pain, syncope, dryness of the mouth, taste disorder, abdominal pain, vomiting, diarrhea, blood in the stools, enuresis, dysuria, inability to ejaculate, nocturia and hematuria. Overexposure through ingestion may result in seizures, and coma with respiratory depression. Aspiration pneumonia is a frequent complication of coma with respiratory depression. Other symptoms due to overdosage may include vomiting, muscular hypotonia, drowsiness, and accommodation disorders. Cyanosis has been reported. Chronic ingestion may result in drowsiness, depression, weakness, anxiety, ataxia, headaches, blurred vision, gastric upset and pruritic skin rashes characterized by urticaria or erythematous macular eruptions. Sudden withdrawal after chronic ingestion may cause auditory and visual hallucinations, anxiety and tachycardia. Seizures may also occur after sudden withdrawal. Abuse may lead to drug dependence. (NTP, 1992)

用途

用途

GABA の誘導体で、脊髄の単 シナプス及び多シナプス反射の抑制作用を示 します。

用途

GABAの誘導体で、脊髄の単 シナプス及び多シナプス反射の抑制作用を示 します。

用途

シグナル伝達研究用。

使用

Baclofen may be used as a pharmaceutical secondary reference standard for the determination of the analyte in plasma samples by liquid chromatography tandem mass spectrometry and tablet formulations by UV spectroscopy, respectively.

一般的な説明

Odorless or practically odorless white to off-white crystalline powder.

反応性グループAcids, Carboxylic
Reactivity ProfileBACLOFEN is an amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (93.1%)
消火Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
応急処置EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
非火災時の漏出対応SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
TreatmentTreatment may involve "pumping" the stomach, inducing vomiting, administering an antidote, and providing supportive care. (L1099)
健康影響Health effects include hypertonia, hyperthermia, formal thought disorder, psychosis, mania, mood disturbances, restlessness, and behavioral disturbances, tachycardia, seizures, tremors, autonomic dysfunction, hyperpyrexia, extreme muscle rigidity resembling neuroleptic malignant syndrome and rebound spasticity (L1098).
HepatotoxicityLimited data are available on the potential hepatotoxicity of baclofen. Among the many clinical trials evaluating the safety and efficacy of baclofen, none mentioned hepatic toxicity or rates of serum ALT elevations occurring during chronic therapy. The product insert starts that 5% of treated patients develop mild serum aminotransferase elevations, but little documentation is available on the significance, severity or duration of these abnormalities. A single case of mild and self-limited hepatitis attirbuted to baclofen has been published. The latency to onset was 3 months, the pattern of injury was hepatocellular, and recovery was rapid and complete, all laboratory tests being normal within a few weeks of stopping.
有害作用Potential adverse effects may involve several organ systems, such as the cardiovascular, gastrointestinal, genitourinary, respiratory, neuromuscular, cutaneous, and central nervous systems.
暴露経路Inhalation (L1104)ingestion (L1104)eye contact (L1104)dermal (L1104) Rapidly and almost completely absorbed from the GI tract.
毒性の概要Signs and Symptoms of OverdoseBaclofen is a direct agonist at GABAB receptors. The precise mechanism of action of Baclofen is not fully known. It is capable of inhibiting both monosynaptic and polysynaptic reflexes at the spinal level, possibly by hyperpolarization of afferent terminals, although actions at supraspinal sites may also occur and contribute to its clinical effect.
Signs and SymptomsLD<sub>50</sub>=45 mg/kg (male mice, IV)LD<sub>50</sub>=78 mg/kg (male rat, IV)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver InjuryDrug Induced Liver Injury Rank (DILIrank 2.0)BaclofenvLess-DILI-concern3Adverse reactionsDOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation◈ What is baclofen?
Toxicity DataLD50: 45 mg/kg (Intravenous, Mouse) (A308) LD50: 78 mg/kg (Intravenous, Rat) (A308)
EPA Human Health Benchmarks for PharmaceuticalsBaclofen0.93.9Start therapy at a low dosage and increase gradually until optimum effect is achieved (usually between 40-80 mg daily).Data used to generate the benchmarks include the following: Lowest Daily Dose (LDD): 40 mg/day, Lowest Therapeutic Dose (LTD): 0.5 mg/kg-day, and Screening Dose: 0.0002 mg/kg-day.30-Mar-07
水環境危害等級（WGK）3
RTECS 番号MW5084200
輸送番号（UN）UN 2811 6.1/PG 3
毒性LD50 in male mice, rats (mg/kg): 45, 78 i.v.103, 115 s.c.200, 145 orally (Tadokoro)
税関コード2922492050
危険文句（R）61-25-36/37/38-42/43-20/21/22
危険表示T,Xn
安全措置（S）53-22-36/37/39-45-52-36-26
危険等級6.1(b)Acute Tox. 3 Oral
包装等級III
貯蔵分類6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects