5581-52-2

• 常用中文名：硝咪硫鸟嘌呤
• 常用英文名：guaneran
• CAS号：5581-52-2
• 分子式：C₉H₈N₈O₂S
• 分子量：292.27700
• 相关类别： 分析化学 标准品 药典标准品和杂志标准品
• 发布时间：2018-09-09 22:43:59
• 更新时间：2024-01-09 10:09:20
• Thiamiprine is an antineoplastic agent.

名称

• 中文名: 硝咪硫鸟嘌呤
• 英文名: Thiamiprine
• 中文别名: 硫咪嘌呤; 依米兰杂质G
• 英文别名: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purin-2-amine

物化性质

• 密度: 2.05g/cm3
• 沸点: 599.6ºC at 760mmHg
• 熔点: >200ºC (DEC.)
• 分子式: C₉H₈N₈O₂S
• 分子量: 292.27700
• 闪点: 316.4ºC
• 精确质量: 292.04900
• PSA: 169.42000
• LogP: 1.83240
• 折射率: 1.994
• 储存条件: 库房通风低温干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:8

  4.可旋转化学键数量:2

  5.互变异构体数量:9

  6.拓扑分子极性表面积:169

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:381

  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 : UO7505000 CHEMICAL NAME : Purine, 2-amino-6-((1-methyl-4-nitroimidazol-5-yl)thio)- CAS REGISTRY NUMBER : 5581-52-2 LAST UPDATED : 199612 DATA ITEMS CITED : 9 MOLECULAR FORMULA : C9-H8-N8-O2-S MOLECULAR WEIGHT : 292.31 WISWESSER LINE NOTATION : T56 BN DM FN HNJ GZ IS- DT5N CNJ C1 ENW 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 : 450 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 34,284,1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 136 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 34,284,1971 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 5040 mg/kg SEX/DURATION : male 4 week(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - testes, epididymis, sperm duct REFERENCE : TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 32,36,1985 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 5 mg/kg SEX/DURATION : female 7 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 4,291,1962 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 7500 ug/kg SEX/DURATION : female 6-8 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : FESTAS Fertility and Sterility. (American Fertility Soc., 608 13th Ave. S, Birmingham, AL 35282) V.1- 1950- Volume(issue)/page/year: 18,7,1967 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 15 mg/kg SEX/DURATION : female 12-14 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system REFERENCE : TNEOAO Transactions of the New England Obstetrical and Gynecological Society. Volume(issue)/page/year: 18,57,1964 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 7500 ug/kg SEX/DURATION : female 6-8 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetal death REFERENCE : TNEOAO Transactions of the New England Obstetrical and Gynecological Society. Volume(issue)/page/year: 18,57,1964 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 15 mg/kg SEX/DURATION : female 4-6 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) REFERENCE : TNEOAO Transactions of the New England Obstetrical and Gynecological Society. Volume(issue)/page/year: 18,57,1964 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported DOSE : 42500 ug/kg SEX/DURATION : female 4-20 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities REFERENCE : CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 2,85,1970

安全

• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2933990090

合成路线

154-42-7 4897-25-0 ~87% 5581-52-2

文献：Kochergin; Aleksandrova; Korsunskii; Shlikhunova Chemistry of Heterocyclic Compounds, 2000 , vol. 36, # 2 p. 182 - 184

上下游产品

上游产品  2
154-42-7 4897-25-0
下游产品  2
3384-61-0 61552-42-9

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%