2-(5-Methoxy-1H-Indol-3-Yl)Ethanol 5-甲氧基吲哚-3-乙醇
CAS 712-09-4 MFCD00047196
化学结构图
SMILES: COc1ccc2[nH]cc(CCO)c2c1
化学属性
| Mol. Formula | C11H13NO2 |
|---|---|
| Mol. Weight | 191.25 |
| Melting Point | Oil (°C) |
| Density | 1.224 |
别名和识别编码
| Chemical Name | 2-(5-Methoxy-1H-Indol-3-Yl)Ethanol |
|---|---|
| CAS Number | 712-09-4 |
| Alfabeta Name | METHOXYINDOLYLETHANOL H25131()-------- |
| MDL Number | MFCD00047196 |
| PubChem Substance ID | 24896903 |
| EC Number | 211-919-3 |
| Synonym | 5-METHOXY-3-(2-HYDROXYETHYL)INDOLE 5-甲氧基色醇 3-(2-Hydroxyethyl)-5-methoxy-1H-indole 5-Methoxytryptophol 2-(5-methoxy-1H-indol-3-yl)ethanol 5-methoxy-1h-indole-3-ethanol 5-methoxy-1h-indole-3-ethano methoxytryptophol 3-(2-Hydroxyethyl)-5-methoxyindole; 5-Methoxytryptophol 5-METHOXYINDOLE-3-ETHANOL 2-(5-Methoxy-1H-indole-3-yl)ethanol 5-METHOXYTRYPTOPHOL 5-methoxy-indole-3-ethano 1H-Indole-3-ethanol, 5-methoxy- 5-Methoxyindole-3-ethanol 5-Methoxy-1H-indole-3-ethanol 2-(5-METHOXY-1H-INDOL-3-YL)-1-ETHANOL |
| Chemical Name Translation | 5-甲氧基吲哚-3-乙醇 |
| InChIKey | QLWKTGDEPLRFAT-UHFFFAOYSA-N |
| Wiswesser Line Notation | T56 BMJ D2Q GO1 |
| Beilstein Registry Number | 0145680 |
| LabNetwork Molecule ID | LN00147403 |
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分类
- {KO} Alcohols
- {SNA} Alphabetical Index of Analytical Standards,
- {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chemical Structure, Chromatography, Drugs & Metabolites, Drugs of Abuse, Forensic and Veterinary Standards, M, META - METH, Neat Compounds, Others
- {SNA} Alphabetical Index of Analytical Standards, Analytical Standards,
- {KO} AminesSecondaryHeteroNH
- {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chemical Structure, Chromatography, Drugs & Metabolites, Drugs of Abuse, Forensic and Veterinary Standards, M, META - METH,
- {SNA} Alphabetical Index of
相关文献及参考
- [2]. Raynaud F, et al. Plasma concentrations of 5-methoxytryptamine, 5-methoxytryptophol and melatonin after 5-methoxytryptamine administration of golden hamsters: physiological implications. J Neural Transm Gen Sect. 1991;84(1-2):33-43.
- [1]. Satué M, et al. A new role for 5-methoxytryptophol on bone cells function in vitro. J Cell Biochem. 2015 Apr;116(4):551-8.
- [1]. Satué M, et al. A new role for 5-methoxytryptophol on bone cells function in vitro. J Cell Biochem. 2015 Apr;116(4):551-8.
- [2]. Raynaud F, et al. Plasma concentrations of 5-methoxytryptamine, 5-methoxytryptophol and melatonin after 5-methoxytryptamine administration of golden hamsters: physiological implications. J Neural Transm Gen Sect. 1991;84(1-2):33-43.
安全信息
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE : 240 mg/kg SEX/DURATION : female 1-2 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : JNTMAH Journal of Neural Transmission. (Springer-Verlag, Postfach 367, A-1011 Vienna, Austria) V.33-77, 1972-89. Volume(issue)/page/year: 96,19,1994
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE : 9333 ug/kg SEX/DURATION : female 28 day(s) pre-mating TOXIC EFFECTS : Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - menstrual cycle changes or disorders REFERENCE : SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 145,63,1964
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rabbit DOSE : 750 ug/kg SEX/DURATION : female 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - other measures of fertility REFERENCE : ENDOAO Endocrinology (Baltimore). (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21203) V.1- 1917- Volume(issue)/page/year: 83,599,1968
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE : 25200 ug/kg SEX/DURATION : male 21 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
2
H-bond Acceptors
2
Rotatable Bonds
3
LogP
1
其他信息
- MOL 文件:712-09-4.mol
- Hazard Note:Irritant
- Sigma Aldrich:712-09-4(sigmaaldrich)
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