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Details

Stereochemistry ACHIRAL
Molecular Formula C28H26N2O8
Molecular Weight 518.5146
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 12-HYDROXY-O-DEMETHYL MURAGLITAZAR

SMILES

OCC1=C(CCOC2=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=YIRXLRFQQYZVHN-UHFFFAOYSA-N
InChI=1S/C28H26N2O8/c31-18-25-24(29-27(38-25)20-4-2-1-3-5-20)14-15-36-22-10-6-19(7-11-22)16-30(17-26(33)34)28(35)37-23-12-8-21(32)9-13-23/h1-13,31-32H,14-18H2,(H,33,34)

HIDE SMILES / InChI

Molecular Formula C28H26N2O8
Molecular Weight 518.5146
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
VM7LN2S4ZT
Record Status Validated (UNII)
Record Version