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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26N2S.CH4O3S
Molecular Weight 410.594
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PERGOLIDE MESYLATE

SMILES

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

InChI

InChIKey=UWCVGPLTGZWHGS-ZORIOUSZSA-N
InChI=1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16-,18-;/m1./s1

HIDE SMILES / InChI
Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C19H26N2S
Molecular Weight 314.488
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:19:10 UTC 2023
Edited
by admin
on Fri Dec 15 15:19:10 UTC 2023
Record UNII
55B9HQY616
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PERGOLIDE MESYLATE
ORANGE BOOK   USAN   USP   USP-RS   VANDF  
USAN  
Official Name English
ERGOLINE, 8-((METHYLTHIO)METHYL)-6-PROPYL-, MONOMETHANESULPHONATE, (8.BETA.)-
Common Name English
ERGOLINE, 8-((METHYLTHIO)METHYL)-6-PROPYL-, MONOMETHANESULFONATE, (8.BETA.)-
Common Name English
PERGOLIDE MESYLATE [GREEN BOOK]
Common Name English
PERGOLIDE MESYLATE [USP MONOGRAPH]
Common Name English
Pergolide mesilate [WHO-DD]
Common Name English
8.BETA.-((METHYLTHIO)METHYL)-6-PROPYLERGOLINE MONOMETHANESULPHONATE
Common Name English
PERGOLIDE MESILATE [JAN]
Common Name English
PERMAX
Brand Name English
PERGOLIDE MESYLATE [VANDF]
Common Name English
NSC-758442
Code English
8β-[(Methylthio)methyl]-6-propylergoline monomethanesulfonate
Common Name English
PERGOLIDE MESILATE [EP MONOGRAPH]
Common Name English
PERGOLIDE MESYLATE [USAN]
Common Name English
PERGOLIDE MESILATE
EP   JAN   MART.   WHO-DD  
Common Name English
PERGOLIDE METHANESULFONATE [MI]
Common Name English
PERGOLIDE MESILATE [MART.]
Common Name English
PERGOLIDE MESYLATE [USP-RS]
Common Name English
LY-127809
Code English
PERGOLIDE MESYLATE [ORANGE BOOK]
Common Name English
PERGOLIDE METHANESULFONATE
MI  
Common Name English
NSC-319773
Code English
LY 127809
Code English
Classification Tree Code System Code
NCI_THESAURUS C38149
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
NCI_THESAURUS C66884
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
Code System Code Type Description
DAILYMED
55B9HQY616
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
DRUG BANK
DBSALT002445
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
CHEBI
8021
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
NSC
758442
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
RXCUI
8048
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY RxNorm
EVMPD
SUB03709MIG
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
FDA UNII
55B9HQY616
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
MERCK INDEX
m8547
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY Merck Index
PUBCHEM
47812
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID6040583
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
NSC
319773
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
RS_ITEM_NUM
1510845
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
SMS_ID
100000085696
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
NCI_THESAURUS
C47665
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
ChEMBL
CHEMBL531
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
CAS
66104-23-2
Created by admin on Fri Dec 15 15:19:10 UTC 2023 , Edited by admin on Fri Dec 15 15:19:10 UTC 2023
PRIMARY
Related Record Type Details
Structure of PERGOLIDE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of PERGOLIDE SULFOXIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of PERGOLIDE SULFONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of PERGOLIDE
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