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Details

Stereochemistry ACHIRAL
Molecular Formula C20H18ClN3O6.Na
Molecular Weight 455.824
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TP-0463518 SODIUM

SMILES

[NaH].OC(=O)CNC(=O)C1=C(O)CCN(CC2=CN=C(OC3=CC=C(Cl)C=C3)C=C2)C1=O

InChI

InChIKey=LJTIAUBMTCILLD-UHFFFAOYSA-N
InChI=1S/C20H18ClN3O6.Na.H/c21-13-2-4-14(5-3-13)30-16-6-1-12(9-22-16)11-24-8-7-15(25)18(20(24)29)19(28)23-10-17(26)27;;/h1-6,9,25H,7-8,10-11H2,(H,23,28)(H,26,27);;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 23.99771
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

Molecular Formula C20H18ClN3O6
Molecular Weight 431.826
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
4VD26WA9A9
Record Status Validated (UNII)
Record Version