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N-methyl-Tadalafil

CAT: 0572-TRC-M454200-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M454200-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
477970-21-1
Hazard Statement
No Data Available
Smiles
CN1CC(=O)N2[C@H](Cc3c([C@H]2c4ccc5OCOc5c4)n(C)c6ccccc36)C1=O
Molecular Formula
C23 H21 N3 O4
Molecular Weight
403.43
InChI
InChI=1S/C23H21N3O4/c1-24-11-20(27)26-17(23(24)28)10-15-14-5-3-4-6-16(14)25(2)22(15)21(26)13-7-8-18-19(9-13)30-12-29-18/h3-9,17,21H,10-12H2,1-2H3/t17-,21-/m1/s1
Additionnal Information
IUPAC name: (2R,8R)-2-(1,3-benzodioxol-5-yl)-6,17-dimethyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Shipping Conditions
Room Temperature

Chemical Information

Tadalafil Impurity 19
CAS Number477970-21-1
PubChem CID10222814
IUPAC Name(2R,8R)-2-(1,3-benzodioxol-5-yl)-6,17-dimethyl-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
XLogP2.2
Topological Polar Surface Area64
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity731
SMILES
CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)N(C6=CC=CC=C36)C
InChI
InChI=1S/C23H21N3O4/c1-24-11-20(27)26-17(23(24)28)10-15-14-5-3-4-6-16(14)25(2)22(15)21(26)13-7-8-18-19(9-13)30-12-29-18/h3-9,17,21H,10-12H2,1-2H3/t17-,21-/m1/s1
InChIKey
UMVKZCLEGWYPLH-DYESRHJHSA-N
Chemical Structure
2D Structure
2D structure of Tadalafil Impurity 19
CAS: 477970-21-1
CID: 10222814
Formula: C23H21N3O4
MW: 403.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.4
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass403.15320616
Monoisotopic Mass403.15320616
Topological Polar Surface Area64 Ų
Heavy Atom Count30
Formal Charge0
Complexity731
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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