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Odentegravirum

CAT: 0804-HY-159522Size: 1 EachDry Ice: NoHazardous: No
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Description
Odentegravirum (Odentegravir) is a antiviral agent[1].
CAS Number
2495436-99-0
Product Name Alternative
Odentegravir
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/odentegravirum.html
Smiles
O=C1C(N(C=C2C(NCC3=C(C=C(C=C3F)F)F)=O)[C@]4([H])CN1CCCC4)=C(O)C2=O
Molecular Formula
C20H18F3N3O4
Molecular Weight
421.37
References & Citations
[1]Odentegravirum (Odentegravir) . WHO Drug Information, Vol. 37, No. 4, 2023.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Odentegravir

Odentegravir is a small molecule drug. The usage of the INN stem '-tegravir' in the name indicates that Odentegravir is a HIV integrase inhibitor. Odentegravir has a monoisotopic molecular weight of 421.12 Da.

CAS Number2495436-99-0
PubChem CID155145315
IUPAC Name(1S)-6-hydroxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
Molecular FormulaC20H18F3N3O4
Molecular Weight421.4
XLogP2.9
Topological Polar Surface Area90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity818
SMILES
C1CCN2C[C@H](C1)N3C=C(C(=O)C(=C3C2=O)O)C(=O)NCC4=C(C=C(C=C4F)F)F
InChI
InChI=1S/C20H18F3N3O4/c21-10-5-14(22)12(15(23)6-10)7-24-19(29)13-9-26-11-3-1-2-4-25(8-11)20(30)16(26)18(28)17(13)27/h5-6,9,11,28H,1-4,7-8H2,(H,24,29)/t11-/m0/s1
InChIKey
XMSYHEQGNQFEEZ-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Odentegravir
CAS: 2495436-99-0
CID: 155145315
Formula: C20H18F3N3O4
MW: 421.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.4
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass421.12494055
Monoisotopic Mass421.12494055
Topological Polar Surface Area90 Ų
Heavy Atom Count30
Formal Charge0
Complexity818
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19238055-01Odentegravirum

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