4656-86-4 (达卡巴嗪杂质B,3H,4H,7H-imidazo4,5-d1,2,3triazin-4-one)

CAS号:
4656-86-4
中文名称:
达卡巴嗪杂质B
英文名称:
3H,4H,7H-imidazo4,5-d1,2,3triazin-4-one
分子式:
C4H3N5O
分子量:
137.099519014359

达卡巴嗪杂质B(4656-86-4)名称与标识符

名称

中文别名:
达卡巴嗪杂质A;达卡巴嗪杂质B;1,5-二氢-4H-咪唑并[4,5-d]-1,2,3-三嗪-4-酮;
英文别名:
4H-Imidazo[4,5-d]-1,2,3-triazin-4-one,3,7-dihydro-;2-Azahypoxanthine;1,5-Dihydro-4H-imidazo[4,5-d]-1,2,3-triazin-4-one;2,3-dihydroimidazo[4,5-d]triazin-4-one;2-Azahypoxanthine SodiuM Salt;Dacarbazine impurity A;3,7-Dihydro-4H-imidazo[4,5-d]-1,2,3-triazin-4-one;NSC 22419;3H,4H,7H-imidazo4,5-d1,2,3triazin-4-one;1,5-Dihydro-4H-imidazo(4,5-d)-1,2,3-triazin-4-one;Q27289957;MFCD19216826;3,7-dihydro-4H-imidazo[4,5-d][1,2,3]triazin-4-one;AKOS006349707;EINECS 225-096-3;3,7-dihydro-imidazo[4,5-e][1,2,3]triazin-4-one;3,7-Dihydro-4H-imidazo[4,5-d]-1,2,3-triazin-4-one Sodium Salt;4H-IMIDAZO(4,5-D)-1,2,3-TRIAZIN-4-ONE, 3,7-DIHYDRO-;Z1203731027;FT-0662365;3,7-DIHYDRO-4H-IMIDAZO(4,5-D)-1,2,3-TRIAZIN-4-ONE;3H-Imidazo[4,5-d][1,2,3]triazin-4(7H)-one;GS-0021;TGZ8A8PWEX;NSC-22419;7H-Imidazo[4,5-d][1,2,3]triazin-4-ol;imidazo-[4,5-d]-v-triazin-4(3h)-one;3,5-dihydroimidazo[4,5-d]triazin-4-one;4H-Imidazo(4,5-d)-1,2,3-triazin-4-one, 1,5-dihydro-;CHEBI:210526;4H-Imidazo(4,5-d)-v-triazin-4-one, 3,7-dihydro-;CS-0037139;NS00047985;DACARBAZINE IMPURITY A [EP IMPURITY];EN300-208225;4656-86-4;4H-Imidazo[4, 3,7-dihydro-;4H-Imidazo[4,5-d]-1,2,3-triazin-4-one, 1,5-dihydro-;AKOS028108945;TEMOZOLOMIDE IMPURITY E [EP IMPURITY];SCHEMBL2473003;NSC22419;TEMOZOLOMIDE IMPURITY, 2-AZAHYPOXANTHINE- [USP IMPURITY];3,7-dihydroimidazo[4,5-d][1,2,3]triazin-4-one;AC-30425;4H-Imidazo[4,2,3-triazin-4-one, 1,5-dihydro-;3H,4H,7H-imidazo[4,5-d][1,2,3]triazin-4-one;SY124591;UNII-TGZ8A8PWEX;DTXSID00963606;4A,5-DIHYDRO-4H-IMIDAZO(4,5-D)(1,2,3)TRIAZIN-4-ONE;DACARBAZINE IMPURITY A (EP IMPURITY);3,5-dihydroimidazo(4,5-d)triazin-4-one;DB-225982;BTERLCQQBYXVIN-UHFFFAOYSA-N;TEMOZOLOMIDE IMPURITY, 2-AZAHYPOXANTHINE-(USP IMPURITY);4H-Imidazo(4,5-d)-v-triazin-4-one, 3,7-dihydro-(8CI);4H-Imidazo(4,5-d)-1,2,3-triazin-4-one, 1,5-dihydro-(9CI);TEMOZOLOMIDE IMPURITY E (EP IMPURITY);TEMOZOLOMIDE IMPURITY, 2-AZAHYPOXANTHINE-[USP IMPURITY];

标识符

MDL:
MFCD19216826
InChIKey:
BTERLCQQBYXVIN-UHFFFAOYSA-N
Inchi:
1S/C4H3N5O/c10-4-2-3(6-1-5-2)7-9-8-4/h1H,(H2,5,6,7,8,10)
SMILES:
O=C1C2=C(N=NN1)N=CN2

达卡巴嗪杂质B(4656-86-4)物化性质

实验特性

  • LogP : -0.95880
  • PSA : 87.32000

计算特性

  • 精确分子量 : 137.03400
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 137.03375974g/mol
  • 重原子数量 : 10
  • 复杂度 : 190
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.2
  • 拓扑分子极性表面积 : 82.5Ų

达卡巴嗪杂质B(4656-86-4)海关数据

海关编码:
2933990090
海关数据:

中国海关编码:

2933990090

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%

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达卡巴嗪杂质B(4656-86-4)参考资料

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