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Tadalafil EP Impurity H

CAT: 1596-AR-T01054-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T01054-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1978322-98-3
Synonyms
(6R,14aR) -6- (benzo[d][1,3]dioxol-5-yl) -2-methyl-2,3,14,14a-tetrahydrobenzo[h]pyrazino[1,2-d][1,4]diazonine-1,4,7,13 (6H,8H) -tetraone
Molecular Formula
C22H19N3O6
Molecular Weight
421.41
API Name
Tadalafil

Chemical Information

Tadalafil Ketolactam
CAS Number1978322-98-3
PubChem CID71752283
IUPAC Name(6R,14aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-6,8,14,14a-tetrahydro-3H-pyrazino[1,2-d][1,4]benzodiazonine-1,4,7,13-tetrone
Molecular FormulaC22H19N3O6
Molecular Weight421.4
XLogP1
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count31
Formal Charge0
Complexity787
SMILES
CN1CC(=O)N2[C@@H](C1=O)CC(=O)C3=CC=CC=C3NC(=O)[C@H]2C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C22H19N3O6/c1-24-10-19(27)25-15(22(24)29)9-16(26)13-4-2-3-5-14(13)23-21(28)20(25)12-6-7-17-18(8-12)31-11-30-17/h2-8,15,20H,9-11H2,1H3,(H,23,28)/t15-,20-/m1/s1
InChIKey
BBMXALYUYHSADD-FOIQADDNSA-N
Chemical Structure
2D Structure
2D structure of Tadalafil Ketolactam
CAS: 1978322-98-3
CID: 71752283
Formula: C22H19N3O6
MW: 421.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.4
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass421.12738533
Monoisotopic Mass421.12738533
Topological Polar Surface Area105 Ų
Heavy Atom Count31
Formal Charge0
Complexity787
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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