Efavirenz

SIGMA/SML0536 - ≥98% (HPLC)

Synonym: Efavirenz; (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one

CAS Number: 154598-52-4
Empirical Formula (Hill Notation): C₁₄H₉ClF₃NO₂
Molecular Weight: 315.67
MDL Number: MFCD05662344
Linear Formula: C₁₄H₉ClF₃NO₂
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-SML0536-10MG	10 mg	$185.00 1/EA	Add To Favorites
45-SML0536-50MG	50 mg	$707.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	≥98% (HPLC)
color	white to beige
form	powder
InChI	1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
InChI key	XPOQHMRABVBWPR-ZDUSSCGKSA-N
optical activity	[α]/D -90 to -100°, c = 1 in methanol
Quality Level	100
SMILES string	ClC1=CC=C2C([C@@](C#CC3CC3)(C(F)(F)F)OC(N2)=O)=C1
solubility	DMSO: 15 mg/mL, clear
storage temp.	−20°C

Application:	Efavirenz has been used: • to assess its anti-porcine endogenous retrovirus (PERV) activity • in cytotoxicity assay • to investigate the solute-solvent effects of efavirenz by means combined time-dependent density functional theory (TD-DFT) and spectroscopic calculations
Biochem/physiol Actions:	Efavirenz is a nonnucleoside reverse transcriptase inhibitor (NNRTI). It is an anti-HIV drug, commonly used in combination therapy for AIDs treatment. It is part of highly active antiretroviral therapy (HAART) for the treatment of a human immunodeficiency virus (HIV) type 1.
Biochem/physiol Actions:	Efavirenz is a nonnucleoside reverse transcriptase inhibitor (NNRTI); anti-retroviral.
Features and Benefits:	This compound is a featured product for ADME Tox research. Click here to discover more featured ADME Tox products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm .
General description:	Efavirenz, commercially known as Sustiva^™ is a polycyclic aromatic hydrocarbon with benzene and oxazinan-2-one chromophores.
Legal Information:	Sustiva is a trademark of E. I. du Pont de Nemours and Company
Packaging:	10, 50 mg in glass bottle

Symbol	GHS02,GHS07,GHS08,GHS09
Signal word	Danger
Hazard statements	H242 - H302 - H360 - H410
Precautionary statements	P210 - P235 - P273 - P308 + P313 - P370 + P378 - P403
Hazard Codes	N
Risk Statements	50
Safety Statements	61
RIDADR	UN 3077 9 / PGIII
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥98% (HPLC)
Storage Temp.	−20°C
UNSPSC	12352200

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