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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H19N2O4S.Na
Molecular Weight 442.463
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DARGLITAZONE SODIUM, (R)-

SMILES

[Na+].CC1=C(CCC(=O)C2=CC=C(C[C@H]3SC(=O)[N-]C3=O)C=C2)N=C(O1)C4=CC=CC=C4

InChI

InChIKey=AMCPCELVARAPHJ-VEIFNGETSA-M
InChI=1S/C23H20N2O4S.Na/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20;/h2-10,20H,11-13H2,1H3,(H,25,27,28);/q;+1/p-1/t20-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C23H20N2O4S
Molecular Weight 420.481
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
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
462K4L3390
Record Status Validated (UNII)
Record Version