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1360001-83-7 | (5α)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-6-oxomorphinaniumIodide
CAS No: 1360001-83-7 Catalog No: AG01E1NW MDL No:
Product Description
Catalog Number:
AG01E1NW
Chemical Name:
(5α)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-6-oxomorphinaniumIodide
CAS Number:
1360001-83-7
IUPAC Name:
(3S,4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one;iodide
InChI:
InChI=1S/C22H28NO4.HI/c1-23(12-13-3-4-13)10-9-21-18-14-5-6-16(26-2)19(18)27-20(21)15(24)7-8-22(21,25)17(23)11-14;/h5-6,13,17,20,25H,3-4,7-12H2,1-2H3;1H/q+1;/p-1/t17-,20+,21+,22-,23+;/m1./s1
InChI Key:
VXHOYBDOHMCZCP-KUSIJKRZSA-M
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
497.106g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
497.373g/mol
Monoisotopic Mass:
497.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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