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192803-69-3 | 1H-3-Benzazepine-2-ethanol, 7-chloro-2,3,4,5-tetrahydro-8-methoxy-3-methyl-1-phenyl-, (1R,2S)-
CAS No: 192803-69-3 Catalog No: AG002GCE MDL No:
Product Description
Catalog Number:
AG002GCE
Chemical Name:
1H-3-Benzazepine-2-ethanol, 7-chloro-2,3,4,5-tetrahydro-8-methoxy-3-methyl-1-phenyl-, (1R,2S)-
CAS Number:
192803-69-3
Molecular Formula:
C20H24ClNO2
Molecular Weight:
345.8631
IUPAC Name:
2-[(4S,5R)-8-chloro-7-methoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl]ethanol
InChI:
InChI=1S/C20H24ClNO2/c1-22-10-8-15-12-17(21)19(24-2)13-16(15)20(18(22)9-11-23)14-6-4-3-5-7-14/h3-7,12-13,18,20,23H,8-11H2,1-2H3/t18-,20+/m0/s1
InChI Key:
DHWDUKUFLBYXGY-AZUAARDMSA-N
SMILES:
OCC[C@@H]1N(C)CCc2c([C@H]1c1ccccc1)cc(OC)c(c2)Cl
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
345.15g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.867g/mol
Monoisotopic Mass:
345.15g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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