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Amino Tadalafil

CAT: 1299-RM-T041228-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T041228-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
385769-84-6
Synonyms
(6R,12aR) -2-amino-6- (benzo[d][1,3]dioxol-5-yl) -2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4 (6H,7H) -dione
Molecular Formula
C21H18N4O4
Molecular Weight
390.39
Target Alternative Name
Tadalafil
Product Name Synonym
(6R,12aR) -2-amino-6- (benzo[d][1,3]dioxol-5-yl) -2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4 (6H,7H) -dione

Chemical Information

Aminotadalafil

structure in first source

CAS Number385769-84-6
PubChem CID10178467
IUPAC Name(2R,8R)-6-amino-2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Molecular FormulaC21H18N4O4
Molecular Weight390.4
XLogP1.5
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count29
Formal Charge0
Complexity704
SMILES
C1[C@@H]2C(=O)N(CC(=O)N2[C@@H](C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6)N
InChI
InChI=1S/C21H18N4O4/c22-24-9-18(26)25-15(21(24)27)8-13-12-3-1-2-4-14(12)23-19(13)20(25)11-5-6-16-17(7-11)29-10-28-16/h1-7,15,20,23H,8-10,22H2/t15-,20-/m1/s1
InChIKey
VUKJGAVIWMPOOJ-FOIQADDNSA-N
Chemical Structure
2D Structure
2D structure of Aminotadalafil
CAS: 385769-84-6
CID: 10178467
Formula: C21H18N4O4
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass390.13280507
Monoisotopic Mass390.13280507
Topological Polar Surface Area101 Ų
Heavy Atom Count29
Formal Charge0
Complexity704
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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