Methyl 5-Hydroxyindole-3-acetate - CAS 15478-18-9
Catalog: |
BB011054 |
Product Name: |
Methyl 5-Hydroxyindole-3-acetate |
CAS: |
15478-18-9 |
Synonyms: |
2-(5-hydroxy-1H-indol-3-yl)acetic acid methyl ester; methyl 2-(5-hydroxy-1H-indol-3-yl)acetate |
IUPAC Name: | methyl 2-(5-hydroxy-1H-indol-3-yl)acetate |
Description: | Methyl 5-Hydroxyindole-3-acetate (CAS# 15478-18-9) is an intermediate in the synthesis of 5-Hydroxyindole-3-acetic Acid-D5 (H953609). 5-Hydroxyindole-3-acetic Acid-D5 is a labelled analogue of 5-Hydroxyindole-3-acetic Acid (H953605). 5-Hydroxyindole-3-acetic Acid is an impurity of Chlorpheniramine (C424300), a histamine H1 receptor antagonist that is used to treat allergy symptoms.. |
Molecular Weight: | 205.21 |
Molecular Formula: | C11H11NO3 |
Canonical SMILES: | COC(=O)CC1=CNC2=C1C=C(C=C2)O |
InChI: | InChI=1S/C11H11NO3/c1-15-11(14)4-7-6-12-10-3-2-8(13)5-9(7)10/h2-3,5-6,12-13H,4H2,1H3 |
InChI Key: | ICPIRXLDEXTULL-UHFFFAOYSA-N |
LogP: | 1.58900 |
Publication Number | Title | Priority Date |
KR-20200026120-A | A substituted indole derivatives, preparation method therof and pharmaceutical composition for use in preventing or treating PPARα, PPARγ and PPARδ related diseases containing the same as an active ingredient | 20180829 |
WO-2020045982-A1 | SUBSTITUTED INDOLE DERIVATIVE, PREPARATION METHOD FOR SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PPARα, PPARγ, AND PPARδ | 20180829 |
KR-102242658-B1 | A substituted indole derivatives, preparation method therof and pharmaceutical composition for use in preventing or treating PPARα, PPARγ and PPARδ related diseases containing the same as an active ingredient | 20180829 |
WO-2019235455-A1 | Enhancer of fertilization function of sperm | 20180605 |
JP-WO2019235455-A1 | Sperm fertilization function enhancer | 20180605 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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