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Relugolix Impurity 8
[CAS# 1589503-93-4]

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Identification
NameRelugolix Impurity 8
Synonyms6-(4-aminophenyl)-1-(2,6-difluorobenzyl)-5-((dimethylamino)methyl)-3-(6-methoxypyridazin-3-yl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Molecular StructureCAS # 1589503-93-4, Relugolix Impurity 8
Molecular FormulaC27H24F2N6O3S
Molecular Weight550.58
CAS Registry Number1589503-93-4
EC Number839-927-8
SMILESO=C(N(C1=CC=C(OC)N=N1)C2=O)N(C3=C2C(CN(C)C)=C(C4=CC=C(N)C=C4)S3)CC(C(F)=CC=C5)=C5F
Properties
Density1.4±0.1 g/cm3, Calc.*
Index of Refraction1.661, Calc.*
Boiling Point769.2±70.0 °C (760 mmHg), Calc.*
Flash Point419.0±35.7 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Classification
up    Details
HazardClassCategory CodeHazard Statement
Skin irritationSkin Irrit.2H315
Acute toxicityAcute Tox.4H302
Specific target organ toxicity - single exposureSTOT SE3H335
Eye irritationEye Irrit.2H319
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