1,3-bis(4-nitrophenyl)urea; 4,6-dimethylpyrimidin-2-ol

• ChemBase编号: 132709
• 分子式: C19H18N6O6
• 平均质量: 426.38282
• 单一同位素质量: 426.12878233
• SMILES: Cc1cc(nc(n1)O)C.c1cc(ccc1NC(=O)Nc1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: O=C(Nc1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-].Cc1cc(C)nc(n1)O
• InChI: InChI=1S/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)
• InChIKey: UKHWDRMMMYWSFL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3-bis(4-nitrophenyl)urea; 4,6-dimethylpyrimidin-2-ol
• IUPAC传统名: 4,6-dimethylpyrimidin-2-ol; urea, N,N'-bis(4-nitrophenyl)-
• 别名: 含 4,6-二甲基-2-嘧啶酮的 N,N′-双(4-硝基苯基)脲化合物; 尼卡巴嗪; Nicarbazin; N,N′-bis(4-Nitrophenyl)urea compound with 4,6-dimethyl-2-pyrimidinone

登记号

• CAS号: 330-95-0
• EC号: 206-359-1
• MDL号: MFCD00867204
• PubChem SID: 162226986
• PubChem CID: 9507

理论计算性质

• Acid pKa: 10.99142
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 2.9986222
• LogD (pH = 7.4): 2.9985178
• Log P: 2.9986236
• 摩尔折射率: 80.7022 cm^3
• 极化性: 27.944305 Å^3
• 极化表面积: 132.77 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: FE0900000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 级别: VETRANAL™, analytical standard
• Empirical Formula (Hill Notation): C13H10N4O5 · C6H8N2O

详细说明

Sigma Aldrich - N3905

Biochem/physiol Actions
Nicarbazin affects avian reproduction by reducing egg production, egg weight, and egg hatchability. The mechanism of action of Nicarbazin is unknown.
Application
Nicarbazin is a coccidiostat (antiprotozoal agent) in the poultry industry and is contraceptive for resident Canada geese and waterfowl. It is used to study avian reproduction and is used to interfere with the formation of the vitelline (yolk) membrane in bird eggs. It has been used to study how delivery method can effect plasma levels of 4,4′-dinitrocarbanilide (DNC), which is the active anticoccidial component of Nicarbazin1.
Nicarbazin is used to interfere with the formation of the vitelline (yolk) membrane in bird eggs, as a waterfowl contraceptive.

Sigma Aldrich - 32409

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC