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139292-26-5

139292-26-5 | 14-thioglycolamido-7,8-dihydromorphinone

CAS No: 139292-26-5 Catalog No: AG00A9DY MDL No:

Product Description

Catalog Number:
AG00A9DY
Chemical Name:
14-thioglycolamido-7,8-dihydromorphinone
CAS Number:
139292-26-5
IUPAC Name:
N-[(4R,4aS,7aR)-9-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-sulfanylacetamide
InChI:
InChI=1S/C19H22N2O4S/c1-21-7-6-18-15-10-2-3-11(22)16(15)25-17(18)12(23)4-5-19(18,13(21)8-10)20-14(24)9-26/h2-3,13,17,22,26H,4-9H2,1H3,(H,20,24)/t13-,17+,18?,19-/m1/s1
InChI Key:
IFWCCHXFUMLVAF-ZWIYRELYSA-N

Properties

Complexity:
660  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
374.13g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
374.455g/mol
Monoisotopic Mass:
374.13g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Literature

Title Journal
Solution to quality assurance challenge 9. Analytical and bioanalytical chemistry 20100701
Quality assurance challenge 9. Analytical and bioanalytical chemistry 20100301

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