1-メチル-7-クロロ-5-(2-クロロフェニル)-1,3-ジヒドロ-2H-1,4-ベンゾジアゼピン-2-オン

Chlorodiazepam

HCID 76168

基本情報

CAS
2894-68-0
標準SMILES
CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21
InChIKey
VPAYQWRBBOGGPY-UHFFFAOYSA-N
分子式
C16H12Cl2N2O
平均分子量
319.2 g/mol
単同位体質量
318.0326684

名称と識別子

優先名称
Chlorodiazepam
IUPAC
7-chloro-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
現地名
1-メチル-7-クロロ-5-(2-クロロフェニル)-1,3-ジヒドロ-2H-1,4-ベンゾジアゼピン-2-オン
英語名
Diclazepam
分子式
C16H12Cl2N2O
分子量
319.19

名称と別名

2-Chlorodiazepam2894-68-0Chlorodiazepam2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-070818R7PBDEA NO. 2789DTXSID301831387-chloro-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-oneRefChem:470412DTXCID40105629Diclazepam2'-Chlorodiazepam
名称をさらに表示
1-メチル-7-クロロ-5-(2-クロロフェニル)-1H-1,4-ベンゾジアゼピン-2(3H)-オンo-クロロジアゼパム7-クロロ-1-メチル-5-(2-クロロフェニル)-1H-1,4-ベンゾジアゼピン-2(3H)-オン1-メチル-7-クロロ-5-(2-クロロフェニル)-1,3-ジヒドロ-2H-1,4-ベンゾジアゼピン-2-オン1-メチル-5-[2-クロロフェニル]-7-クロロ-1H-1,4-ベンゾジアゼピン-2(3H)-オン7-クロロ-5-(2-クロロフェニル)-1,3-ジヒドロ-1-メチル-2H-1,4-ベンゾジアゼピン-2-オン1-メチル-5-(2-クロロフェニル)-7-クロロ-1H-1,4-ベンゾジアゼピン-2(3H)-オン7-クロロ-5-(2-クロロフェニル)-1-メチル-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-2-オンジクラゼパムetizolam powderDiclazepam (CRM)diclazepam powderDiclazepam, Ro5-3448Diclazepam USP/EP/BP2-chlorodiazepam /Diclazepam
7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one7-chloro-5-(2-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-oneRo 5-3448o-ChlorodiazepamUNII-070818R7PBHSDB 6959CHEMBL268248SCHEMBL7486030

データベース識別子

CAS
2894-68-0
PubChem CID
76168
DTXSID
DTXSID30183138
ChEMBL
CHEMBL268248
UNII
070818R7PB
EC Number
111-026-8
Nikkaji
J47.042B

物性

構造計算による物性

XLogP
3.1
極性表面積
32.7 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
1
重原子数
21

実験および物理化学的性質

LogPlog Kow = 3.12

物理化学的性質

融点
217 · 217-219℃ (dichloromethane ethyl ether )
沸点
524.6 · 524.6±50.0 °C(Predicted)
比重(密度)
1.35 · 1.35±0.1 g/cm3 (20 ºC 760 Torr)
溶解性
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
外見
A neat solid
酸解離定数(Pka)
1.75 · 1.75±0.25(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory InformationDEA schedule I controlled substance
FDA Requirements · 1 件

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.

Hazard Classes and CategoriesAcute Tox. 3 (100%);Acute Tox. 3 (100%);Aquatic Chronic 1 (100%)

安全と保護具

Disposal Methods · 1 件

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.

毒性情報

Antidote and Emergency Treatment · 2 件

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/

法規制情報

Regulatory InformationDEA schedule I controlled substance
FDA Requirements · 1 件

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.

安全データ

risk_code
22
safety_code
22-24/25
有毒物質データの
2894-68-0(Hazardous Substances Data)

化学と産業

応用分野 · 1 件

説明Diclazepam, 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.

関連反応

1 件

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