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プロカルバジン塩酸塩

Procarbazine Hydrochloride

HCID 9703
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
366-70-1
標準SMILES
CNNCc1ccc(C(=O)NC(C)C)cc1.Cl
InChIKey
DERJYEZSLHIUKF-UHFFFAOYSA-N
分子式
C12H19N3O.ClH
平均分子量
257.76 g/mol
単同位体質量
257.12949

概要

Procarbazine hydrochloride can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity according to state or federal government labeling requirements.

名称と識別子

優先名称
Procarbazine Hydrochloride
IUPAC
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride
現地名
プロカルバジン塩酸塩
英語名
Procarbazine hydrochloride
分子式
C12H20ClN3O
分子量
257.76

名称と別名

Procarbazine hydrochloride366-70-1PROCARBAZINE HClNathulaneNatunalarMIH hydrochloridePCB hydrochlorideIbenzmethyzine hydrochlorideNatulan hydrochlorideIbenzmethyzin hydrochlorideNSC-77213Ro 4-6467/1
名称をさらに表示
プロカルバジン塩酸塩N-イソプロピル-4-(2-メチルヒドラジノメチル)ベンズアミド·塩酸塩塩酸プロカルバジンナツランプロカルバジン酸N-イソプロピル-4-[(2-メチルヒドラジノ)メチル]ベンズアミド塩酸塩プロカルバジン 塩酸塩プロカルバジン塩酸塩 (JP17)ibzmatulaneMutulaneNatulan HClNSC-77213 HClnatulanhydrochlorideibenzmethyzinhydrochloride
NCI-C01810DTXSID3021190XH0NPH5ZX8p-(N'-Methylhydrazinomethyl)-N-isopropylbenzamide hydrochlorideNSC 77213DTXCID001190Ro 4 6467/1RO-4-6467 HYDROCHLORIDE

データベース識別子

CAS
366-70-1

物性

構造計算による物性

極性表面積
53.2 Ų
水素結合供与体数
4
水素結合受容体数
3
回転可能結合数
5
重原子数
17
形式電荷
0
複雑度
210

実験および物理化学的性質

Solubilitygreater than or equal to 100 mg/mL at 70.7 °F (NTP, 1992)
Human Drugs · 2 件

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Melting Point433 °F (decomposes) (NTP, 1992)
Physical DescriptionProcarbazine hydrochloride is a white to pale yellow crystalline powder with a slight odor. Acid to litmus. (NTP, 1992)

物理化学的性質

融点
223 °C · 223°C
比重(密度)
8.3 g/cm3 · 8.3 g/cm3
貯蔵温度
2 · Inert atmosphere,2-8°C
溶解性
18 mg/mL以上 · DMSO:18mg/mL以上
外見
粉
色
白から黄褐色
水溶解度
10 g/100 · >=10 g/100 mL at 21.5 ºC
Merck
14 · 14,7758
BCS Class
3 · 3/1
InChI
1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H
InChIKey
DERJYEZSLHIUKF-UHFFFAOYSA-N

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationHazard Traits - Carcinogenicity; Developmental Toxicity
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards · 1 件

SYMPTOMS: Symptoms of exposure to this compound may include nausea, vomiting, leukopenia and thrombocytopenia. Other symptoms include somnolence, lethargy, hallucinations, confusion, agitation, cerebellar ataxia, paresthesias, myalgia, decrease of deep tendon reflexes, hypotension and allergic skin reactions. Exposure may cause arthralgia, fever, weakness, dermatitis, coma, alopecia and convulsions. It may also cause anorexia, stomatitis, diarrhea, drowsiness and depression. Other symptoms include bone marrow depression, hemolysis, bleeding tendencies, psychoses, dizziness, peripheral neuropathy, tremors, flu-like syndrome, pulmonary reactions, tachycardia, ocular defects such as blurred vision and papilledema, impaired liver function, shortness of breath, pneumonitis and productive cough. It may also cause reversible depression of peripheral leukocyte and platelet counts, optic neuroretinitis and pulmonary eosinophilia. Other symptoms include hemolytic anemia, dry mouth, dysphagia, constipation, fatigue pruritus, herpes, hyperpigmentation, flushing, intercurrent infections, pleura effusion, edema, jaundice, headache, apprehension, nervousness, inability to focus, insomnia, pyrexia, hypersensitivity reactions, hemorrhage, pancytopenia eosinophilia, petechiae, purpura, epistaxis, hemoptysis, hematemesis, melena, nystagmus, urticaria, hearing loss, diaphoresis, chills, hoarseness, slurred speech, enteritis, nightmares, falling, unsteadiness, abdominal pain, syncope, retinal hemorrhage, photophobia, diplopia, hematuria, urinary frequency, nocturia, foot drop and fetal harm. Exposure to this compound and alcohol can cause flushing of the head and neck, palpitations, sweating, hypotension and dyspnea.

化学と産業

薬理情報

FDA Pharmacological Classification · 2 件

PROCARBAZINE HYDROCHLORIDE

Alkylating Drug [EPC]; Alkylating Activity [MoA]

MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
応用分野 · 3 件

用途アルキル化剤です。アルキル 化作用により DNA やタンパク質との間に架 橋を形成します。この結合により DNA の複 製阻害作用を示します。

使用Procarbazine hydrochloride USP is used to traet Hodgkin’s disease; non-Hodgkin’s lymphomas; lung cancer.

一般的な説明White to pale yellow crystalline powder with a slight odor. Acid to litmus.

上流・下流製品情報

上流原料

水素化ナトリウムN-ブロモこはく酸イミドN,N-ジメチルホルムアミドp-トルイル酸 メチル1,4-ジオキサン塩酸クロロぎ酸ベンジルメチルヒドラジン酢酸

サプライヤー

関連反応

1 件
反応記録を作成
HRID 1579705 の反応式
HRID 1579705生成物としてuspto-grants-1976_01

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
PubChem CID
9703
DTXSID
DTXSID3021190
ChEMBL
CHEMBL1200410
ChEBI
CHEBI:71428
UNII
XH0NPH5ZX8
EC Number
206-678-6
SMILES
Cl.CNNCc1ccc(cc1)C(=O)NC(C)C
CAS データベース
366 · 366-70-1(CAS DataBase Reference)
EPAの化学物質情報
Procarbazine hydrochloride (366-70-1)

化学的性質

化学的特性Crystalline Solid

Reactive GroupAmides and Imides
Reactivity ProfilePROCARBAZINE HYDROCHLORIDE is very sensitive to light. Stability is highest in aqueous acid and decreases with increasing pH. Degrades rapidly in alcoholic media and more slowly in aqueous media (NTP, 1992).
Air and Water ReactionsIn the presence of moisture or in aqueous solution undergoes oxidation by atmospheric oxygen. Water soluble.
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

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.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs you should dampen the solid spill material with water and transfer the dampened material to a suitable container Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing 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.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

毒性情報

Carcinogen Classification · 6 件

Procarbazine hydrochloride

Group 2A: Probably carcinogenic to humans

Volume 26: (1981) Some Antineoplastic and Immunosuppressive Agents

1987

1987

NB Overall evaluation upgraded to Group 2A with supporting evidence from other relevant data

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Procarbazine hydrochloride

vLess-DILI-concern

3

Warnings & precautions

DOI:10.1016/j.drudis.2016.02.015

RAIS Toxicity Values · 4 件

0.0034

CALEPA

0.12

CALEPA

安全データ

wgk
3
rtecs
XS4725000
毒性
LD50 orally in rats: 785 ±34 mg/kg (Goldenthal)
hs_code
2928002500
risk_code
45-61-22-68
化審法
(3)-2979
hazard_code
T
safety_code
53-36/37-45
Hazard Classifications
Acute Tox. 4 OralCarc. 1BMuta. 2Repr. 1A
ストレージクラス
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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補足説明 · 1 件

定義ChEBI: A hydrochloride obtained by combining procarbazine with one equivalent of hydrochloric acid. An antineoplastic chemotherapy drug used for treatment of Hodgkin's lymphoma. Metabolism yields azo-procarbazine and hydrogen peroxide, which results in the breaki g of DNA strands.