Dazmegrel
Basic information
- CAS
76894-77-4- Standard SMILES
Cc1c(Cn2ccnc2)c2ccccc2n1CCC(=O)O- InChIKey
DEQLGSOHGTZKFB-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.13207679
Overview
Dazmegrel is a small molecule drug. Dazmegrel has a monoisotopic molecular weight of 283.13 Da.
Names & identifiers
- Preferred name
- Dazmegrel
- IUPAC
- 3-[3-(imidazol-1-ylmethyl)-2-methylindol-1-yl]propanoic acid
- English name
- Dazmegrel
- Molecular formula
- C16H17N3O2
- Molecular weight
- 283.33
Names & synonyms
DAZMEGREL76894-77-4DazmegrelumUK-38485UK-38,485DTXSID90462813-(Imidazol-1-ylmethyl)-2-methylindole-1-propionic acidUK 38,48531340R8PVU1H-Indole-1-propanoic acid, 3-(1H-imidazol-1-ylmethyl)-2-methyl-DTXCID7026281UK 38485
Show more names
485UK38UK 38UK-383-(1H-Imidazol-1-ylmethyl)-2-methyl-1H-indole-1-propanoic acid
3-(1H-imidazole-1-yl-methyl)-2-methyl-1H-indole-1-propanoic acidRefChem:9196873-[3-(imidazol-1-ylmethyl)-2-methylindol-1-yl]propanoic acid1H-Indole-1-propanoicacid, 3-(1H-imidazol-1-ylmethyl)-2-methyl-CHEMBL283656NCGC00160660-01Dazmegrelum [Latin]3-[3-(1H-imidazol-1-ylmethyl)-2-methyl-1H-indol-1-yl]propanoic acid
Database identifiers
- CAS
76894-77-4- PubChem CID
- 53555
- DTXSID
DTXSID9046281- ChEMBL
CHEMBL283656- UNII
- 31340R8PVU
- Nikkaji
- J23.271H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Melting point
- 195 · 195-197 °C
- Boiling point
- 569.6 · 569.6±45.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 4.57 · 4.57±0.10(Predicted)
- FDA UNII
- 31340 R8PVU · 31340R8PVU
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Drugs used to cause dilation of the blood vessels.
Applications
UsesInhibitor (thromboxane synthetase).
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Related reactions
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Compound notes
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