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86247-86-1 | 2H-1-Benzopyran-3-ol,3,4-dihydro-8-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-
CAS No: 86247-86-1 Catalog No: AG004JT8 MDL No:
Product Description
Catalog Number:
AG004JT8
Chemical Name:
2H-1-Benzopyran-3-ol,3,4-dihydro-8-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-
CAS Number:
86247-86-1
Molecular Formula:
C15H23NO4
Molecular Weight:
281.3474
IUPAC Name:
8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromen-3-ol
InChI:
InChI=1S/C15H23NO4/c1-10(2)16-7-13(18)9-19-14-5-3-4-11-6-12(17)8-20-15(11)14/h3-5,10,12-13,16-18H,6-9H2,1-2H3
InChI Key:
GEKRLAMHPJMGFS-UHFFFAOYSA-N
SMILES:
OC(COc1cccc2c1OCC(C2)O)CNC(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.352g/mol
Monoisotopic Mass:
281.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Nitric oxide-mediated effect of nipradilol, an alpha- and beta-adrenergic blocker, on glutamate neurotoxicity in rat cortical cultures. | European journal of pharmacology 20060327 |
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