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Details

Stereochemistry UNKNOWN
Molecular Formula C28H26N2O8
Molecular Weight 518.5146
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-HYDROXY-O-DEMETHYL MURAGLITAZAR

SMILES

CC1=C(CC(O)OC2=CC=C(CN(CC(O)=O)C(=O)OC3=CC=C(O)C=C3)C=C2)N=C(O1)C4=CC=CC=C4

InChI

InChIKey=HLEBRMGWUUFGIB-UHFFFAOYSA-N
InChI=1S/C28H26N2O8/c1-18-24(29-27(36-18)20-5-3-2-4-6-20)15-26(34)37-22-11-7-19(8-12-22)16-30(17-25(32)33)28(35)38-23-13-9-21(31)10-14-23/h2-14,26,31,34H,15-17H2,1H3,(H,32,33)

HIDE SMILES / InChI

Molecular Formula C28H26N2O8
Molecular Weight 518.5146
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
L72J0KTQ5L
Record Status Validated (UNII)
Record Version