5-(3-Methyl-1-triazeno)imidazole-4-carboxamide 3-甲基(三氮杂烯基)咪唑-4 甲酰胺

CAS 3413-72-7 MFCD01721692

化学结构图

3413-72-7
SMILES: CN=NNc1nc[nH]c1C(N)=O

化学属性

Mol. FormulaC5H8N6O
Mol. Weight168.16
Melting Point178 °C
Boiling Point297.08 °C at 760 mmHg

别名和识别编码

Chemical Name5-(3-Methyl-1-triazeno)imidazole-4-carboxamide
CAS Number3413-72-7
Synonym MTIC {LY} MTIC {} {LY} MTIC {} {} {LY} MTIC {} {} {} {LY} MTIC {} {} {} {} {LY} MTIC {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} MTIC {} {} {} {} {} {} {}
Chemical Name Translation3-甲基(三氮杂烯基)咪唑-4 甲酰胺
Wiswesser Line NotationT5M CNJ DVZ ENUNM1
PubChem Substance ID76953
InChIInChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)
MDL Number
Canonical SMILESO=C(C1=C(/N=N/NC)N=CN1)N
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分类

  • Metabolites & Impurities,

产品应用

  • A metabolite of Temozolomide, an antineoplastic.

安全信息

GHS Symbol
Safety Statements
Precautionary statements
  • P203
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P317
  • P318
  • P330 Rinse mouth. 漱口
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4450 mg/kg/14W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
   Reproductive - Tumorigenic effects - uterine tumors
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   54,951,1975

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
   Reproductive - Tumorigenic effects - uterine tumors
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   54,951,1975

RTECSNI4000000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 775 mg/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  Volume(issue)/page/year:
   59,207,1968

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Rodent - rat Cells - not otherwise specified
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   36,2827,1976

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 60 umol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   42,1454,1982

{hazard_com

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Rodent - mouse Fibroblast
DOSE/DURATION           : 100 umol/L
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   24,615,1975

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 100 umol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 7,259,1986

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 60 umol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   42,1454,1982

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Rodent - rat Cells - not otherwise specified
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   CNREA8 C

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H351 Suspected of causing cancer 怀疑致癌
Storage condition -20°C, sealed storage, away from moisture {LY} -20°C, sealed storage, away from moisture {} {LY} -20°C, sealed storage, away from moisture {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {}

系列性分类


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