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18050-88-9 | Morphinan-10-one, 3-methoxy-17-methyl- (8CI,9CI)
CAS No: 18050-88-9 Catalog No: AG00221S MDL No:
Product Description
Catalog Number:
AG00221S
Chemical Name:
Morphinan-10-one, 3-methoxy-17-methyl- (8CI,9CI)
CAS Number:
18050-88-9
Molecular Formula:
C18H23NO2
Molecular Weight:
285.3807
IUPAC Name:
(1R,9S,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-8-one
InChI:
InChI=1S/C18H23NO2/c1-19-10-9-18-8-4-3-5-14(18)16(19)17(20)13-7-6-12(21-2)11-15(13)18/h6-7,11,14,16H,3-5,8-10H2,1-2H3/t14-,16-,18+/m0/s1
InChI Key:
UOCRGKKCNCIQCZ-QILLFSRXSA-N
SMILES:
COc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2=O)N(CC1)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
285.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.387g/mol
Monoisotopic Mass:
285.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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