U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CS(C)(=O)=O)CN2CCC

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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:38:29 GMT 2023
Edited
by admin
on Sat Dec 16 18:38:29 GMT 2023
Record UNII
9T6UT3NV5L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PERGOLIDE SULFONE
Common Name English
(8.BETA.)-8-((METHYLSULFONYL)METHYL)-6-PROPYLERGOLINE
Common Name English
PERGOLIDE MESILATE IMPURITY B [EP IMPURITY]
Common Name English
PERGOLIDE MESYLATE IMPURITY B [EP IMPURITY]
Common Name English
ERGOLINE, 8-((METHYLSULFONYL)METHYL)-6-PROPYL-, (8.BETA.)-
Systematic Name English
(6AR,9R,10AR)-9-((METHYLSULFONYL)METHYL)-7-PROPYL-4,6,6A,7,8,9,10,10A-OCTAHYDROINDOLO(4,3-FG)QUINOLINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50993615
Created by admin on Sat Dec 16 18:38:29 GMT 2023 , Edited by admin on Sat Dec 16 18:38:29 GMT 2023
PRIMARY
CAS
72822-03-8
Created by admin on Sat Dec 16 18:38:29 GMT 2023 , Edited by admin on Sat Dec 16 18:38:29 GMT 2023
PRIMARY
FDA UNII
9T6UT3NV5L
Created by admin on Sat Dec 16 18:38:29 GMT 2023 , Edited by admin on Sat Dec 16 18:38:29 GMT 2023
PRIMARY
PUBCHEM
9997765
Created by admin on Sat Dec 16 18:38:29 GMT 2023 , Edited by admin on Sat Dec 16 18:38:29 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP