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Chemical structure of 8-Hydroxyefavirenz

GC42626

8-Hydroxyefavirenz

Also listed as 8-hydroxy Efavirenz

8-hydroxy Efavirenz is a major oxidative metabolite of the non-nucleoside reverse transcriptase inhibitor efavirenz

ChemicalCAS205754-33-2MW331.7FormulaC14H9ClF3NO3
CAS number
205754-33-2
Molecular weight
331.7
Formula
C14H9ClF3NO3
Solubility
Acetonitrile： soluble,DMSO： soluble,Methanol： soluble
InChIKey
OOVOMPCQLMFEDT-ZDUSSCGKSA-N
Catalogue number
GC42626
Brand
GLPBIO
Computed properties PubChem CID 487643 · XLogP 3.7 · TPSA 58.6 Ų · H-bond donors 2
XLogP
3.7
TPSA
58.6 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
22

SMILES C1CC1C#C[C@]2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F

Computed descriptors from PubChem (CID 487643), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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