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Doravirine

CAT: 0607-BA1900-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1900-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1338225-97-0
Form
A solid
Molecular Formula
C17H11ClF3N5O3
Molecular Weight
425.75
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Doravirine

Doravirine (brand name: Pifeltro) is a prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of HIV in adults and children who weigh at least 77 lb (35 kg) and who meet certain requirements, as determined by a health care provider. Doravirine is always used in combination with other HIV medicines.

CAS Number1338225-97-0
PubChem CID58460047
IUPAC Name3-chloro-5-[[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
Molecular FormulaC17H11ClF3N5O3
Molecular Weight425.7
XLogP2.1
Topological Polar Surface Area98
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity860
SMILES
CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F
InChI
InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)
InChIKey
ZIAOVIPSKUPPQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Doravirine
CAS: 1338225-97-0
CID: 58460047
Formula: C17H11ClF3N5O3
MW: 425.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.7
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass425.0502514
Monoisotopic Mass425.0502514
Topological Polar Surface Area98 Ų
Heavy Atom Count29
Formal Charge0
Complexity860
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-D534255-10MGDoravirine
AR-D07590-01Doravirine-13C6
RM-D750001-01Doravirine Impurity 1
RM-D750003-01Doravirine Impurity 3
CS-B-00268Doravirine 13C, d3
RM-D750004-01Doravirine Impurity 4
AR-D07592-01Doravirine-13C-d3
AR-D07589-01N1-Nitroso Doravirine
A12443-50Doravirine (MK-1439) 50mg

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