Acetil acid

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Systematic / IUPAC Name: 4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d-]pyrimidin-5-yl)benzoic acid

ID: Reference638

Other Names: 3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-benzoic acid;
4-Ethoxy-3-(7-hydroxy-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzoic acid;
5-(5-Carboxy-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

Formula: C18H20N4O4

Class: Counterfeit Drug (Therapeutic) Illegal Additives

Spectral Data

Acetil acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/12/2016 6:58:59 AM
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Identificators

InChI InChI=1S/C18H20N4O4/c1-4-6-12-14-15(22(3)21-12)17(23)20-16(19-14)11-9-10(18(24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3,(H,24,25)(H,19,20,23)
InChI Key UUNWDXYDLDBMRV-UHFFFAOYSA-N
Canonical SMILES CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)C(=O)O)OCC)C
CAS 147676786
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Other Names 3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-benzoic acid;
4-Ethoxy-3-(7-hydroxy-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzoic acid;
5-(5-Carboxy-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

In Other Databases

ChemSpider 13626460
PubChem 21250779