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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26N2O2S
Molecular Weight 346.487
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PERGOLIDE SULFONE

SMILES

CCCN1C[C@H](CS(C)(=O)=O)C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34

InChI

InChIKey=BRFHHAXHZFOBNY-MZMPZRCHSA-N
InChI=1S/C19H26N2O2S/c1-3-7-21-11-13(12-24(2,22)23)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H26N2O2S
Molecular Weight 346.487
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
9T6UT3NV5L
Record Status Validated (UNII)
Record Version