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N-Ethyl Tadalafil

CAT: 1299-RM-T041227-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T041227-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1609405-34-6
Synonyms
(6R,12aR) -6- (benzo[d][1,3]dioxol-5-yl) -2-ethyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4 (6H,7H) -dione
Molecular Formula
C23H21N3O4
Molecular Weight
403.44
Target Alternative Name
Tadalafil
Product Name Synonym
(6R,12aR) -6- (benzo[d][1,3]dioxol-5-yl) -2-ethyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4 (6H,7H) -dione

Chemical Information

N-Ethyl tadalafil
CAS Number1609405-34-6
PubChem CID101494198
IUPAC Name(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-ethyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Molecular FormulaC23H21N3O4
Molecular Weight403.4
XLogP2.7
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity717
SMILES
CCN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
InChI
InChI=1S/C23H21N3O4/c1-2-25-11-20(27)26-17(23(25)28)10-15-14-5-3-4-6-16(14)24-21(15)22(26)13-7-8-18-19(9-13)30-12-29-18/h3-9,17,22,24H,2,10-12H2,1H3/t17-,22-/m1/s1
InChIKey
QGNIMKVVHAXCSK-VGOFRKELSA-N
Chemical Structure
2D Structure
2D structure of N-Ethyl tadalafil
CAS: 1609405-34-6
CID: 101494198
Formula: C23H21N3O4
MW: 403.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass403.15320616
Monoisotopic Mass403.15320616
Topological Polar Surface Area74.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity717
Isotope Atom Count0
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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