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117685-73-1 | N-(4-azido-3-iodophenethylamidoisobutyl)norepinephrine
CAS No: 117685-73-1 Catalog No: AG009V3R MDL No:
Product Description
Catalog Number:
AG009V3R
Chemical Name:
N-(4-azido-3-iodophenethylamidoisobutyl)norepinephrine
CAS Number:
117685-73-1
IUPAC Name:
N-[2-(4-azido-3-iodophenyl)ethyl]-4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]pentanamide
InChI:
InChI=1S/C21H26IN5O4/c1-13(25-12-20(30)15-4-6-18(28)19(29)11-15)2-7-21(31)24-9-8-14-3-5-17(26-27-23)16(22)10-14/h3-6,10-11,13,20,25,28-30H,2,7-9,12H2,1H3,(H,24,31)
InChI Key:
BWJYPABMMFBINC-UHFFFAOYSA-N
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
539.103g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
539.374g/mol
Monoisotopic Mass:
539.103g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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