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3-Hydroxy Nevirapine-d3

CAT: 0572-TRC-H948632-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H948632-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346602-85-4
Synonyms
11-Cyclopropyl-5,11-dihydro-3-hydroxy-4-methy-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one-d3;
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])c1c(O)cnc2N(C3CC3)c4ncccc4C(=O)Nc12
Molecular Formula
C15H11D3N4O2
Molecular Weight
285.32
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Hydroxy Nevirapine-d3
CAS Number1346602-85-4
PubChem CID71749206
IUPAC Name2-cyclopropyl-6-hydroxy-7-(trideuteriomethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Molecular FormulaC15H14N4O2
Molecular Weight285.32
XLogP1.6
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity428
SMILES
[2H]C([2H])([2H])C1=C2C(=NC=C1O)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
InChI
InChI=1S/C15H14N4O2/c1-8-11(20)7-17-14-12(8)18-15(21)10-3-2-6-16-13(10)19(14)9-4-5-9/h2-3,6-7,9,20H,4-5H2,1H3,(H,18,21)/i1D3
InChIKey
DANIONWINZEYME-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy Nevirapine-d3
CAS: 1346602-85-4
CID: 71749206
Formula: C15H14N4O2
MW: 285.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.32
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass285.13050594
Monoisotopic Mass285.13050594
Topological Polar Surface Area78.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity428
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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