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色氨酸代谢物(吲哚乙酸) | 54-16-0

色氨酸代谢物(吲哚乙酸)
2-(5-hydroxy-1H-indol-3-yl)acetic acid
54-16-0
C72H40
905.0880
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:色氨酸代谢物(吲哚乙酸)结构式
87570770
名称和标识符
MDL MFCD00005639
InChIKey JNXCGJQUBVERSU-KPDNVXIUSA-N
Inchi 1S/C72H40/c1-9-25-49-41(17-1)42-18-2-10-26-50(42)58-34-66-65(33-57(49)58)67-35-59-51-27-11-3-19-43(51)44-20-5-13-29-53(44)61(59)37-69(67)71-39-63-55-31-15-7-23-47(55)48-24-8-16-32-56(48)64(63)40-72(71)70-38-62-54-30-14-6-22-46(54)45-21-4-12-28-52(45)60(62)36-68(66)70/h1-40H/b67-65-,68-66-,71-69-,72-70-
SMILES C12C([H])=C3C4=C([H])C([H])=C([H])C([H])=C4C4=C([H])C([H])=C([H])C([H])=C4C3=C([H])C=1C1C([H])=C3C4=C([H])C([H])=C([H])C([H])=C4C4=C([H])C([H])=C([H])C([H])=C4C3=C([H])C=1C1C([H])=C3C4=C([H])C([H])=C([H])C([H])=C4C4=C([H])C([H])=C([H])C([H])=C4C3=C([H])C=1C1C([H])=C3C4=C([H])C([H])=C([H])C([H])=C4C4=C([H])C([H])=C([H])C([H])=C4C3=C([H])C2=1
别名信息
- 中文别名 -
  • 5-羟基吲哚-3-乙酸
  • 5-羟基吲哚乙酸
  • 2-氟-5-硝基苯甲醚
  • 5 - 羟吲哚乙酸标准品
  • 5-Hydroxyindole-3-acetic Acid 5-羟基吲哚-3-乙酸
  • 5-羧基吲哚-3-乙酸
  • 色氨酸代谢物(吲哚乙酸)
- 英文别名 -
  • 2-(5-Hydroxy-1H-indol-3-yl)acetic acid
  • 5-Hydroxyindole-3-Aceticacid
  • 5-HIAA
  • 1H-Indole-3-aceticacid, 5-hydroxy-
  • HYDROXYINDOLYL-3-ACETIC ACID, 5-(RG)
  • 5-Hydroxyindolacetic Acid
  • 5-Oxyindoleacetic acid
  • NSC 90432
  • 5-Hydroxy-1H-indole-3-acetic acid
  • Heptadecacyclo[54.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.038,55.040,53.041,46.047
  • 5-Hydroxyindole-3-acetic acid
  • Heptadecacyclo[54.16.0.02,19.04,17.05,14.08,13.020,37.022,35.023,32.026,31.038,55.040,53.041,50.044,
  • 2-(5-hydroxy-1H-indol-3-yl)acetic acid
  • 5-Hydroxyindol-3-ylacetate
  • 5HIAA
  • NS00014754
  • 5-hydroxyindole acetate
  • H 8876
  • SMR000326665
  • 5-hydroxy-indole-3-acetic acid
  • 5-Oxyindoleacetate
  • FT-0679205
  • 5-Hydroxy-1H-indole-3-acetate
  • 5-Hydroxyindole-3-acetic acid, >=98% (HPLC), crystalline
  • bmse000364
  • NCIOpen2_001406
  • YHC763JY1P
  • PD015273
  • HMS3261P14
  • 5-hydroxy-indol-3-yl-acetic acid
  • H-6200
  • 5-Hydroxyindol-3-ylacetic acid
  • 5-Hydroxyindoleacetic acid
  • NCGC00015522-03
  • DS-15683
  • CCRIS 4423
  • (5-hydroxy-1H-indol-3-yl)-acetic acid
  • Tox21_500636
  • 5-hydroxyl indole-3-acetic acid
  • (5-hydroxyindol-3-yl)acetic acid
  • 1H-Indole-3-acetic acid, 5-hydroxy-
  • BDBM50458878
  • MLS000859593
  • NCGC00094003-01
  • NCGC00015522-08
  • EN300-7407243
  • INDOLEACETIC ACID, 5-HYDROXY-
  • SR-01000075583
  • CS-W008253
  • CBMicro_013565
  • 5-HydroxyindolessigsA currencyure
  • CHEBI:27823
  • HY-W008253
  • CHEMBL395915
  • NCGC00094003-02
  • 5-hydroxy-indole acetate
  • Lopac-H-8876
  • Indole-3-acetic acid, 5-hydroxy-, 1H-
  • Oprea1_139007
  • (5-Hydroxy-1H-indol-3-yl)acetic acid
  • 5-hydroxyindole-3-acetic-2,2-d2 acid
  • J-006135
  • 2-(5-hydroxyindol-3-yl)acetic acid
  • 2-(5-hydroxy-1H-indol-3-yl)acetic acid
  • 5-HIAA
  • 1H-Indole-3-aceticacid,5-hydroxy-
  • GTPL11900
  • Hydroxyindoleacetate
  • 5-Hydroxyindolylacetic acid
  • HID
  • NCGC00015522-04
  • 5-Hydroxyindolacetic acid
  • UNII-YHC763JY1P
  • SCHEMBL138121
  • 5-Hydroxyindol-3-acetic acid
  • C05635
  • 1H-Indoleacetic acid, hydroxy-
  • 5-HO-IAA
  • 74C13742-18FA-4D80-8B54-1B85D9463949
  • AKOS003382389
  • EU-0100636
  • 5-Hydroxy-3-indoleacetic acid
  • 1321-73-9
  • BRN 0168797
  • Lopac0_000636
  • 5-hydroxy-Indole-3-acetate
  • SR-01000075583-1
  • MFCD00005639
  • 5-22-05-00203 (Beilstein Handbook Reference)
  • BB 0260171
  • NSC-90432
  • HMS2230M10
  • Hydroxyindoleacetic acid
  • (1-AMINO-1-METHYLPROPYL)PHOSPHONICACIDHYDRATE
  • 5-Hydroxyindolyacetic Acid,(S)
  • 5-Hydroxyindoleacetate
  • HMS3372G16
  • (5-Hydroxy-1H-indol-3-yl)aceticacid
  • 5-Hydroxy-IAA
  • (5-Hydroxy-1H-indol-3-yl)acetic acid #
  • LP00636
  • 5-Hydroxyheteroauxin
  • 5-Hydroxyindole-3-acetate
  • Indole-3-acetic acid, 5-hydroxy-
  • 5-hydroxyindole acetic acid
  • H0355
  • FD13061
  • NCGC00261321-01
  • NSC90432
  • NCGC00015522-02
  • DTXSID50861582
  • NCGC00015522-01
  • Q238532
  • SDCCGSBI-0013441.P003
  • EINECS 200-195-4
  • FT-0620472
  • 54-16-0
  • 5-hydroxyindolylaceticacid
  • SY012014
  • 5-Hydroxy-3-indolylacetate
  • CCG-221940
  • MLSMR
物化性质
实验特性
LogP 1.50060
PSA 73.32000
折射率 1.5310 (estimate)
沸点 497.1℃ at 760 mmHg
熔点 161-164 °C (dec.) (lit.)
闪点 254.4℃
溶解度 略溶 (11 g/L) (25 ºC),
颜色与性状 浅黄色结晶。对光和空气敏感。
溶解性 溶于水、乙醇和乙酸乙酯,微溶于乙醚。
敏感性 Light Sensitive
密度 1.496±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 191.05800
氢键供体数量 0
氢键受体数量 0
可旋转化学键数量 0
同位素质量 191.058
重原子数量 72
复杂度 1520
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)
互变异构体数量 9
表面电荷 0
拓扑分子极性表面积 0
国际标准相关数据
EINECS 200-195-4
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%

生产方法和用途
用途 用于生化研究。
相关文献
专业数据库参考
PubChemId 87570770
参考资料
Reaxys RN 168797
Beilstein 168797
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