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247568-68-9 | Benzamide, N-[(3,4-dimethoxyphenyl)methyl]-2-[[(1R)-2-hydroxy-1-methylethyl]amino]-5-nitro-
CAS No: 247568-68-9 Catalog No: AG002PC0 MDL No:
Product Description
Catalog Number:
AG002PC0
Chemical Name:
Benzamide, N-[(3,4-dimethoxyphenyl)methyl]-2-[[(1R)-2-hydroxy-1-methylethyl]amino]-5-nitro-
CAS Number:
247568-68-9
Molecular Formula:
C19H23N3O6
Molecular Weight:
389.4024
IUPAC Name:
N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2R)-1-hydroxypropan-2-yl]amino]-5-nitrobenzamide
InChI:
InChI=1S/C19H23N3O6/c1-12(11-23)21-16-6-5-14(22(25)26)9-15(16)19(24)20-10-13-4-7-17(27-2)18(8-13)28-3/h4-9,12,21,23H,10-11H2,1-3H3,(H,20,24)/t12-/m1/s1
InChI Key:
ZISFCTXLAXIEMV-GFCCVEGCSA-N
SMILES:
OC[C@H](Nc1ccc(cc1C(=O)NCc1ccc(c(c1)OC)OC)[N+](=O)[O-])C
UNII:
IAU22ZHP0V
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
389.159g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
389.408g/mol
Monoisotopic Mass:
389.159g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Determination of (R)-xanthoanthrafil, a phosphodiesterase-5 inhibitor, in a dietary supplement promoted for sexual enhancement. | Chemical & pharmaceutical bulletin 20080201 |
| Phosphodiesterase type 5 inhibition ameliorates nephrotoxicity induced by cyclosporin A in spontaneous hypertensive rats. | European journal of pharmacology 20030912 |
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