化学品概述
基本信息
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中文名称:
9-顺式维甲酸
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中文别名:
9-顺式维甲酸;9-顺式视黄酸;9-顺式视黄醇酸;阿利维A酸;9-CIS维甲酸
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英文名称:
9-CIS-RETINOIC ACID
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英文别名:
RETINOIC ACID, 9-CIS-;RARECHEM AL BE 0738;(2E,4E,6Z,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)NONA-2,4,6,8-TETRAENOIC ACID;9-CIS-RETINOIC ACID;9-CIS-TRETINOIN;Alitretinoin;9-cis-tretinoi;3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-t
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分子式:
C20H28O2
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分子量:
300.43512 [g/mol]
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CAS:
5300-03-8
- EINECS编号:
- MDL编号:
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精确质量:
300.20893
- InChI:
- InChI Key:
-
MOL文件:
/Mol/5300-03-8.mol
- PSA:
- LogP:
- FEMA编码:
- COE编码:
理化性质
- 外观性质:
-
熔点:
189-191°C
- 沸点:
- 密度:
- 折射率:
- 比旋光度:
- 闪点:
- 溶解性:
-
酸度系数(pKa):
Soluble in chloroform (50 mg/ml), DMSO (~25 mg/ml), ethanol (25 mg/ml), and acetone (25 mg/ml). Insoluble in water.
- 相对极性:
- PH值:
- 爆炸极限值(explosive limit):
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敏感性:
Moisture & Light Sensitive
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储存条件:
−20°C
- 检测方法:
- 蒸气压:
- Merck:
- BRN:
- NIST化学物质信息:
- EPA化学物质信息:
安全信息
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危化品标志:
T
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危化代码:
61-36/37/38
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安全代码:
53-26-36/37/39-45
- 海关编码/HS编码:
- 危化品运输编码:
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WGK Germany:
3
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RTECS:
VH6450000
- TSCA:
- 危化等级:
- 包装类别:
- 毒理资料:
- 灭火剂:
应用领域
制备方法/合成路线
参考资料
- Naturally occurring derivative of vitamin A, q.v. Morphogenic agent that modulates cell growth and differentiation; activates both retinoic acid (RAR) and retinoid X (RXR) receptors. Prepn: C. D. Robeson et al., J. Am. Chem. Soc. 77, 4111 (1955); M. Matsui et al., J. Vitaminol. 4, 178 (1958); M. F. Boehm et al., J. Med. Chem. 37, 408 (1994). Identification as physiological ligand of RXR: R. A. Heyman et al., Cell 68, 397 (1992); A. A. Levin et al., Nature 355, 359 (1992). Role in morphogenesis: C. Thaller et al., Development 118, 957 (1993). Biosynthesis from all-trans-retinoic acid: J. Urbach, R. R. Rando, Biochem. J. 299, 459 (1994). HPLC determn in plasma: A. M. Dzerk et al., J. Pharm. Biomed. Anal. 16, 1013 (1998). Clinical pharmacokinetics: C. Weber, E. Dumont, J. Clin. Pharmacol. 37, 566 (1997). Clinical evaluation in acute promyelocytic leukemia: S. L. Soignet et al., Leukemia 12, 1518 (1998); in advanced cancers: N. A. Rizvi et al., Clin. Cancer Res. 4, 1437 (1998). Review of role as hormone: B. F. Tate et al., Trends Endocrinol. Metab. 5, 189-194 (1994); of clinical development: J. Cell. Biochem. Suppl. 26, 158-167 (1996).
- MSDS
图谱
计算化学数据
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疏水参数计算参考值(XlogP):
6.3
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氢键供体数量 :
1
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氢键受体数量:
2
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可旋转化学键数量:
5
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拓扑分子机型表面积(TPSA) :
37.3
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重原子数量:
22
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形式电荷:
0
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复杂度:
567
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同位素原子数量:
0
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确定原子立构中心数量:
0
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不确定原子立构中心数量:
0
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确定化学键立构中心数量:
4
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不确定化学键立构中心数量:
0
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共价键单元数量:
1