EFAVIRENZ

Description

EFAVIRENZ · CAS 154598-52-4 · C14H9ClF3NO2. UNII JE6H2O27P8. Melting Point: 139-141 °C; Melting Point: 139 - 141 °C; Solubility: 8.55e-03 g/L.

Identification

CAS Registry Number	154598-52-4
PubChem CID	64139
Molecular formula	C14H9ClF3NO2
IUPAC name	(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
UNII (FDA)	JE6H2O27P8

Computed Descriptors

Molecular Weight	315.67
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	315.0273907
Monoisotopic Mass	315.0273907
Topological Polar Surface Area	38.3
Heavy Atom Count	21
Formal Charge	0

Physical & Chemical Properties

Melting Point	139-141 °C
Melting Point	139 - 141 °C
Solubility	8.55e-03 g/L
LogP	4.6
Dissociation Constants	pKa = 10.2

Physical description & handling notes

• Solid
• Crystals from toluene:heptane
• White to slightly pink crystalline powder
• Practically insoluble in water (less than 10 mg/L)
• 168.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9046029]
• Oral: Capsules: 50 mg, Sustiva, Bristol-Myers Squibb, 100 mg, Sustiva, Bristol-Myers Squibb, 200 mg, Sustiva, Bristol-Myers Squibb; Tablets: 600 mg, Sustiva, Bristol-Myers Squibb

GHS Hazard Classification

Reported hazard statements	H302 (52.3%), H319 (47.7%), H360 (48.9%), H372 (43.2%), H400 (92%), H410 (94.3%)

Documented Uses

• Anti-HIV Agents; Reverse Transcriptase Inhibitors
• Use (kg; approx.) in Germany (2009): >1000
• Use (kg; exact) in Germany (2009): 2025
• Consumption (g per capita; approx.) in Germany (2009): 0.0122
• Consumption (g per capita; exact) in Germany (2009): 0.0247
• Consumption (g per capita) in the USA (2002): 0.0358

Synonyms

efavirenz; 154598-52-4; Sustiva; Stocrin; DMP-266; (-)-Efavirenz; (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one; (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; Viraday; Efavirenz teva; L-743726; Efavirenzum; DTXSID9046029; L-743,726; NSC-742403; JE6H2O27P8

Frequently Asked Questions

What are the CAS number and molecular formula of EFAVIRENZ?

CAS 154598-52-4; molecular formula C14H9ClF3NO2; molecular weight — g/mol.

What other names is EFAVIRENZ known by?

efavirenz, 154598-52-4, Sustiva, Stocrin, DMP-266, (-)-Efavirenz.

Is EFAVIRENZ classified as hazardous?

Hazard statements reported: H302, H319, H360, H372, H400.

What are the key physical properties of EFAVIRENZ?

Melting Point: 139-141 °C; Melting Point: 139 - 141 °C; Solubility: 8.55e-03 g/L; LogP: 4.6.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.