Coumarin-[d4]

Category	Influenza Virus
CAS	185056-83-1
Description	Coumarin-[d4] is the labelled analogue of Coumarin. Coumarin is a chemical compound found in many plants with an anticoagulant activity.

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Synonyms	2H-1-Benzopyran-2-one-5,6,7,8-d4; 1,2-Benzopyrone-d4; 5,6-Benzo-2-pyrone-d4; Benzo-α-pyrone-d4; Coumarinic Anhydride-d4; NSC 8774-d4; Rattex-d4; cis-o-Coumarinic Acid-d4 Lactone; o-Hydroxycinnamic Acid-d4 Lactone
IUPAC Name	5,6,7,8-tetradeuteriochromen-2-one
Molecular Weight	150.15
Molecular Formula	C9H2D4O2
Canonical SMILES	C1=CC=C2C(=C1)C=CC(=O)O2
InChI	InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H/i1D,2D,3D,4D
InChIKey	ZYGHJZDHTFUPRJ-RHQRLBAQSA-N
Boiling Point	298.0±0.0 °C at 760 mmHg
Melting Point	61-62°C
Flash Point	118.3±16.1 °C
Purity	95% by HPLC; 95% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in Chloroform, Ethyl Acetate, Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C
Complexity	196
Exact Mass	150.061886414
Index Of Refraction	1.595
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
PSA	30.21000
Target	Influenza Virus
Vapor Pressure	0.0±0.6 mmHg at 25°C
XLogP3-AA	1.4