기본 정보
- CAS
2894-68-0- 표준 SMILES
CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21- InChIKey
VPAYQWRBBOGGPY-UHFFFAOYSA-N- 분자식
- C16H12Cl2N2O
- 평균 분자량
- 319.2 g/mol
- 단동위원소 질량
- 318.0326684
이름 및 식별자
- 우선 이름
- Chlorodiazepam
- IUPAC
- 7-chloro-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
- 현지명
- 디클라제팜
- 영어명
- Diclazepam
- 분자식
- C16H12Cl2N2O
- 분자량
- 319.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2894-68-0- PubChem CID
- 76168
- DTXSID
DTXSID30183138- ChEMBL
CHEMBL268248- UNII
- 070818R7PB
- EC Number
- 111-026-8
- Nikkaji
- J47.042B
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 32.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 440
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 217 · 217-219℃ (dichloromethane ethyl ether )
- 끓는 점
- 524.6 · 524.6±50.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3 (20 ºC 760 Torr)
- 용해도
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS(pH7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml
- 물리적 상태
- A neat solid
- 산도 계수 (pKa)
- 1.75 · 1.75±0.25(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Danger
H301+H311 (100%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal];H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal];H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
FDA Requirements
Schedules of controlled substances are established by section 202 of the Controlled Substances Act (21 U.S.C. 812). Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation which contains any quantity of the following substances, including its salts, isomers, and salts of isomers whenever the existence of uscch salts, isomers, and salts of isomers is possible within the specific chemical designation. Schedule IV includes diazepam, DEA Code #2765; Drug class: Depressants.
안전 및 보호
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
독성 정보
Antidote and Emergency Treatment
Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/
Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/
규제 정보
FDA Requirements
Schedules of controlled substances are established by section 202 of the Controlled Substances Act (21 U.S.C. 812). Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation which contains any quantity of the following substances, including its salts, isomers, and salts of isomers whenever the existence of uscch salts, isomers, and salts of isomers is possible within the specific chemical designation. Schedule IV includes diazepam, DEA Code #2765; Drug class: Depressants.
안전 데이터
- risk_code
- 22
- safety_code
- 22-24/25
- 유해 물질 데이터
- 2894-68-0(Hazardous Substances Data)
화학 및 산업
응용 분야
개요Diclazepam, also known as 2-chlorodiazepam and chlorodiazepam, is classed in the benzodiazepam family, and is therefore a diazepam analogue.It was first synthesized by Leo Sternbach and his team at Hoffman-La Roche in 1960, but it was not pursued as a pharmaceutical product.Diclazepam dosage, efficacy or safety in humans has never been formally studied. In animals, however, it is known to have very similar effects to flubromazepam and diazepam itself. Its effects include working as an anticonvulsant and anxiolytic, a sedative, a hypnotic, an amnesiac and as a skeletal muscle relaxant. It may have adverse effects such as drowsiness, and cognitive impairments such as short term memory impairment. Diclazepam has been assessed as having an elimination half-life of around 42 hours in most animals. In the body, it undergoes N-demethylation, resulting in the creation of delorazepam. The delorazepam can be detected in the subject’s urine for approximately six days. It also metabolises into lormetazepam (detectable for 19 days) and lorazepam (detectable for 11 days). This suggests that cytochrome P450 enzymes are also engaging in hydroxylation of the compound at the same time as the N-demethylation.
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