O-tert-Butyl-2-hydroxy Efavirenz-d5
Product Code
TRC-B692472
Product Format
Neat
Molecular Formula
C18 D5 H14 Cl F3 N O3
Molecular Weight
394.827
Product Categories
TRC, Anti-HIV agents, Stable isotopes, Pharmaceutical Toxicology Reference Materials
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Product Information
Chemical Data
Analyte Name
O-tert-Butyl-2-hydroxy Efavirenz-d5
Molecular Formula
C18 D5 H14 Cl F3 N O3
Molecular Weight
394.827
Accurate Mass
394.132
SMILES
[2H]C1([2H])C([2H])([2H])C1([2H])C#CC(O)(c2cc(Cl)ccc2NC(=O)OC(C)(C)C)C(F)(F)F
InChI
InChI=1S/C18H19ClF3NO3/c1-16(2,3)26-15(24)23-14-7-6-12(19)10-13(14)17(25,18(20,21)22)9-8-11-4-5-11/h6-7,10-11,25H,4-5H2,1-3H3,(H,23,24)/i4D2,5D2,11D
IUPAC
tert-butyl N-[4-chloro-2-[1,1,1-trifluoro-2-hydroxy-4-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-yl]phenyl]carbamate
Unlabelled CAS Number
201218-08-8
SIL Type
Deuterium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat