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Details

Stereochemistry ACHIRAL
Molecular Formula C25H27N3O4S
Molecular Weight 465.565
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OPC-54050

SMILES

O=C1NC2=C(C=C1)C=CC(OCCCCN3CCN(CC3)C4=CC=CC5=C4C=CS5(=O)=O)=C2

InChI

InChIKey=MIOKOILCQKPJKT-UHFFFAOYSA-N
InChI=1S/C25H27N3O4S/c29-25-9-7-19-6-8-20(18-22(19)26-25)32-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-33(24,30)31/h3-10,17-18H,1-2,11-16H2,(H,26,29)

HIDE SMILES / InChI

Molecular Formula C25H27N3O4S
Molecular Weight 465.565
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
BI85GOS9T4
Record Status Validated (UNII)
Record Version