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5-[[(4S)-2-Oxo-4-oxazolidinyl]Methyl]-1H-indole-3-aceticAcid

5-[[(4S)-2-Oxo-4-oxazolidinyl]Methyl]-1H-indole-3-aceticAcid structure

CAS No:
251451-31-7
Formula:
C14H14N2O4
Chemical Name:
5-[[(4S)-2-Oxo-4-oxazolidinyl]Methyl]-1H-indole-3-aceticAcid
Synonyms:
3-Des[2-(DiMethylaMino)ethyl] ZolMitriptan 3-Acetic Acid;5-[[(4S)-2-Oxo-4-oxazolidinyl]Methyl]-1H-indole-3-acetic Acid;2-[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]acetic acid;1H-Indole-3-acetic acid, 5-[[(4S)-2-oxo-4-oxazolidinyl]methyl]-

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5-[[(4S)-2-Oxo-4-oxazolidinyl]Methyl]-1H-indole-3-aceticAcid Basic Attributes

Molecular Weight：

274.27

Exact Mass：

274.09535693

UNII：

XIJ30HC936

DSSTox ID：

DTXSID90747518

Characteristics

PSA：

94.91000

XLogP3：

1.08590

Density：

1.439±0.06 g/cm3

Boiling Point：

667.4±40.0 °C(Predicted)

PKA：

4.51±0.30

5-[[(4S)-2-Oxo-4-oxazolidinyl]Methyl]-1H-indole-3-aceticAcid Use and Manufacturing

The indole acetic acid metabolite of Zolmitriptan (Z639000) formed by human hepatocytes.

Computed Properties

Molecular Weight:274.27
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:274.09535693
Monoisotopic Mass:274.09535693
Topological Polar Surface Area:91.4
Heavy Atom Count:20
Complexity:401
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[[(4S)-2-Oxo-4-oxazolidinyl]Methyl]-1H-indole-3-aceticAcid

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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