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Dikegulac sodium

CAS No.:
52508-35-7
Catalog Number:
AG00DDSY
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DDSY
Chemical Name:
Dikegulac sodium
CAS Number:
52508-35-7
MDL Number:
MFCD00132930
IUPAC Name:
sodium;(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate
InChI:
InChI=1S/C12H18O7.Na/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);/q;+1/p-1/t6-,7+,8-,12+;/m0./s1
InChI Key:
DEWVPZYHFVYXMZ-QCILGFJPSA-M
EC Number:
257-976-8
UNII:
3M4815901H
Properties
Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
296.087g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.251g/mol
Monoisotopic Mass:
296.087g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties