10087-89-5

• 常用中文名：恩普氨酯
• 常用英文名：Enpromate
• CAS号：10087-89-5
• 分子式：C₂₂H₂₃NO₂
• 分子量：333.42400
• 相关类别： 原料药 抗肿瘤药 烷化剂类抗肿瘤药
• 发布时间：2018-06-16 12:57:36
• 更新时间：2024-01-11 19:34:02

名称

• 中文名: 恩普氨酯
• 英文名: 1,1-diphenylprop-2-ynyl N-cyclohexylcarbamate
• 英文别名: N-Cyclohexyl-carbamidsaeure-(1,1-diphenyl-propin-(2)-ylester); Enpromatum [INN-Latin]; Empromate; ENPROMATE; Acetylenic carbamate; Empromato [INN-Spanish]; 1,1-Diphenyl-2-propynyl cyclohexylcarbamate; 1,1-Diphenyl-2-propynylcyclophosphamide; Enpromate [USAN:INN]; 1,1-Diphenyl-2-propinyl-cyclohexylcarbamat

物化性质

• 密度: 1.14g/cm3
• 沸点: 476.9ºC at 760mmHg
• 熔点: 160.5°C
• 分子式: C₂₂H₂₃NO₂
• 分子量: 333.42400
• 闪点: 242.2ºC
• 精确质量: 333.17300
• PSA: 38.33000
• LogP: 5.01320
• 蒸汽压: 2.94E-09mmHg at 25°C
• 折射率: 1.595
• 计算化学:

  1.疏水参数计算参考值（XlogP）:5

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:6

  5.互变异构体数量:2

  6.拓扑分子极性表面积:38.3

  7.重原子数量:25

  8.表面电荷:0

  9.复杂度:456

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : GU7175000 CHEMICAL NAME : Cyclohexanecarbamic acid, 1,1-diphenyl-2-propynyl ester CAS REGISTRY NUMBER : 10087-89-5 LAST UPDATED : 199612 DATA ITEMS CITED : 13 MOLECULAR FORMULA : C22-H23-N-O2 MOLECULAR WEIGHT : 333.46 WISWESSER LINE NOTATION : L6TJ AMVOXR&R&1U1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 374 mg/kg TOXIC EFFECTS : Tumorigenic - active as anti-cancer agent TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : >250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : >250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1690 mg/kg/27W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors Skin and Appendages - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 31500 mg/kg/67W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Cardiac - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1925 mg/kg/11W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors Skin and Appendages - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 13600 mg/kg/40W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Cardiac - tumors Gastrointestinal - tumors MUTATION DATA TYPE OF TEST : Unscheduled DNA synthesis TEST SYSTEM : Rodent - rat Liver DOSE/DURATION : 10 umol/L REFERENCE : ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 3,11,1981

安全

• 海关编码: 2924299090

上下游产品

上游产品  3
134-85-0 108-91-8 1885-14-9
下游产品  1
13632-79-6

海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%