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88900-95-2 | Ergoline, 8-[(3,5-dimethyl-4-isoxazolyl)methyl]-10-methoxy-6-methyl-
CAS No: 88900-95-2 Catalog No: AG008AAO MDL No:
Product Description
Catalog Number:
AG008AAO
Chemical Name:
Ergoline, 8-[(3,5-dimethyl-4-isoxazolyl)methyl]-10-methoxy-6-methyl-
CAS Number:
88900-95-2
Molecular Formula:
C22H27N3O2
Molecular Weight:
365.4687
IUPAC Name:
4-[(10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl]-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C22H27N3O2/c1-13-17(14(2)27-24-13)8-15-10-22(26-4)18-6-5-7-19-21(18)16(11-23-19)9-20(22)25(3)12-15/h5-7,11,15,20,23H,8-10,12H2,1-4H3
InChI Key:
IAEKXUAHIBULHX-UHFFFAOYSA-N
SMILES:
CO[C@]12CC(CN([C@@H]1Cc1c3c2cccc3[nH]c1)C)Cc1c(C)noc1C
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.21g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.477g/mol
Monoisotopic Mass:
365.21g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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