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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H36N2O13
Molecular Weight 692.6659
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MURAGLITAZAR GLUCURONIDE

SMILES

COC1=CC=C(OC(=O)N(CC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)CC3=CC=C(OCCC4=C(C)OC(=N4)C5=CC=CC=C5)C=C3)C=C1

InChI

InChIKey=VLMNHAOSAKQBJM-WKRHDJAJSA-N
InChI=1S/C35H36N2O13/c1-20-26(36-32(47-20)22-6-4-3-5-7-22)16-17-46-24-10-8-21(9-11-24)18-37(35(44)48-25-14-12-23(45-2)13-15-25)19-27(38)49-34-30(41)28(39)29(40)31(50-34)33(42)43/h3-15,28-31,34,39-41H,16-19H2,1-2H3,(H,42,43)/t28-,29-,30+,31-,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H36N2O13
Molecular Weight 692.6659
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
ZHX3I5HX5M
Record Status Validated (UNII)
Record Version