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Tadalafil-d3

CAT: 1596-AR-T01035-04Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T01035-04Size:250 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
960226-55-5
Synonyms
(6R,12aR) -6- (benzo[d][1,3]dioxol-5-yl) -2-methyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4 (6H,7H) -dione-D3; (6R,12aR) -6- (1,3-Benzodioxol-5-yl) -2,3,6,7,12,12a-hexahydro-2-methylpyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione-D3; Cialis-D3; GF 196960-D3; IC 351-D3; ICOS 351-D3; Tildenafil-D3; UK 336017-D3
Molecular Formula
C22H16N3O4D3
Molecular Weight
392.43
API Name
Tadalafil

Chemical Information

Tadalafil-d3
CAS Number960226-55-5
PubChem CID46782966
IUPAC Name(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-(trideuteriomethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Molecular FormulaC22H19N3O4
Molecular Weight392.4
XLogP2.3
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count29
Formal Charge0
Complexity702
SMILES
[2H]C([2H])([2H])N1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
InChI
InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1/i1D3
InChIKey
WOXKDUGGOYFFRN-WFMNTJQSSA-N
Chemical Structure
2D Structure
2D structure of Tadalafil-d3
CAS: 960226-55-5
CID: 46782966
Formula: C22H19N3O4
MW: 392.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass392.15638633
Monoisotopic Mass392.15638633
Topological Polar Surface Area74.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity702
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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