基本情報
- CAS
126-85-2- 標準SMILES
C[N+]([O-])(CCCl)CCCl- InChIKey
AFLXUQUGROGEFA-UHFFFAOYSA-N- 分子式
- C5H11Cl2NO
- 平均分子量
- 172.05 g/mol
- 単同位体質量
- 171.0217694
概要
Nitrogen Mustard N-oxide can cause cancer according to an independent committee of scientific and health experts.
名称と識別子
- 優先名称
- Mechlorethamine Oxide
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide
- 現地名
- N,N-ビス(2-クロロエチル)メタンアミンN-オキシド
- 英語名
- NITROMIN
- 分子式
- C5H11Cl2NO
- 分子量
- 172.05
名称と別名
Nitrogen mustard N-oxide126-85-2Mechlorethamine oxideDTXSID70209762,2'-Dichloro-N-methyldiethylamine-N-oxide2Q86QAR1PNMethylbis(beta-chloroethyl)amine N-oxideDTXCID10976Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-, N-oxideNSC-141949RefChem:1660982-chloro-N-(2-chloroethyl)-N-methylethanamine oxide
名称をさらに表示
メチルビス(2-クロロエチル)アミンオキシドN,N-ビス(2-クロロエチル)メチルアミンオキシドナイトロミンN,N-ビス(2-クロロエチル)メタンアミンN-オキシド2-クロロ-N-(2-クロロエチル)-N-メチルエタンアミンN-オキシドメクロレタミンオキシドニトロミンナイトロジェンマスタードオキシドナイトロジェンマスタードN-オキシド2-クロロ-N-(2-クロロエチル)-N-メチルエタン-1-アミンN-オキシドナイトロジェンマスタード－Ｎ－オキシドビス(2-クロロエチル)(メチル)アミン N-オキシドナイトロジェンマスタドＮオキシドニトロジェンマスタード N-オキシドN,N‐ビス(2‐クロロエチル)メチルアミン‐N‐オキシド2-クロロ-N-(2-クロロエチル)-N-メチルエタンアミン オキシドN,N-ﾋﾞｽ(2-ｸﾛﾛｴﾁﾙ)ﾒﾁﾙｱﾐﾝ-N-ｵｷｼﾄﾞMBAONITROMIN
物性
構造計算による物性
- XLogP
- 0.9
- 極性表面積
- 18.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 4
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 73.4
実験および物理化学的性質
Chemical ClassesCarcinogens
物理化学的性質
- 比重(密度)
- 1.1184 · 1.1184 (rough estimate)
- 屈折率
- 1.568 · 1.5680 (estimate)
- 酸解離定数(Pka)
- 4.54 · 4.54±0.50(Predicted)
- CAS データベース
- 126 · 126-85-2
- EPAの化学物質情報
- Nitrogen mustard (HN-2), N-oxide (126-85-2)
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
Danger
H340: May cause genetic defects [Danger Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Danger
H340: May cause genetic defects [Danger Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Hazard Traits - Carcinogenicity
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazard Classes and Categories
Germ cell mutagenicity - Category 1B
Germ cell mutagenicity - Category 1B
Carcinogens
毒性情報
Carcinogen Classification
Nitrogen mustard N-oxide
Group 2B: Possibly carcinogenic to humans
Volume 9: (1975) Some Aziridines, N-, S- and O-Mustards and Selenium
1987
1987
安全データ
- 毒性
- LD50 intraperitoneal in mouse: 100mg/kg
化学と産業
薬理情報
MeSH Pharmacological Classification
Highly reactive chemicals that introduce alkyl radicals into biologically active molecules and thereby prevent their proper functioning. Many are used as antineoplastic agents, but most are very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. They have also been used as components in poison gases.
Chemicals that are used to cause the disturbance, disease, or death of humans during WARFARE.
Drugs that act locally on cutaneous or mucosal surfaces to produce inflammation; those that cause redness due to hyperemia are rubefacients; those that raise blisters are vesicants and those that penetrate sebaceous glands and cause abscesses are pustulants; tear gases and mustard gases are also irritants.
A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026)
応用分野
用途抗悪性腫瘍剤
サプライヤー4 社
United States Biological Inc.[email protected]
CLEARSYNTH LABS LTD.+91-22-45045900 · [email protected]
Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd(852)2541 2772 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…