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Aminotadalafil

CAS No.:
385769-84-6
Catalog Number:
AG00C6XC
Molecular Formula:
C21H18N4O4
Molecular Weight:
390.3920
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$103
- +
5g
95%
In Stock USA
United States
$366
- +
Product Description
Catalog Number:
AG00C6XC
Chemical Name:
Aminotadalafil
CAS Number:
385769-84-6
Molecular Formula:
C21H18N4O4
Molecular Weight:
390.3920
MDL Number:
MFCD09752152
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
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
InChI Key:
VUKJGAVIWMPOOJ-FOIQADDNSA-N
SMILES:
O=C1N(N)CC(=O)N2[C@@H]1Cc1c([C@H]2c2ccc3c(c2)OCO3)[nH]c2c1cccc2
UNII:
FY501QO030
Properties
Complexity:
704  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
390.133g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
390.399g/mol
Monoisotopic Mass:
390.133g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Drug to genome to drug: discovery of new antiplasmodial compounds. Journal of medicinal chemistry 20110512
Isolation and structure elucidation of an interaction product of aminotadalafil found in an illegal health food product. Journal of pharmaceutical and biomedical analysis 20100921
Structural elucidation of a tadalafil analogue found as an adulterant of a herbal product. Food additives and contaminants 20060501
Accurate mass measurement using Fourier transform ion cyclotron resonance mass spectrometry for structure elucidation of designer drug analogs of tadalafil, vardenafil and sildenafil in herbal and pharmaceutical matrices. Rapid communications in mass spectrometry : RCM 20060101
Properties