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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18N2O2
Molecular Weight 282.337
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL ISOLYSERGATE

SMILES

COC(=O)[C@@H]1CN(C)[C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1

InChI

InChIKey=RNHDWLRHUJZABX-XHDPSFHLSA-N
InChI=1S/C17H18N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-6,8,11,15,18H,7,9H2,1-2H3/t11-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H18N2O2
Molecular Weight 282.337
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:55:54 GMT 2025
Edited
by admin
on Tue Apr 01 19:55:54 GMT 2025
Record UNII
17L28CSQ85
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL ISOLYSERGATE
Common Name English
ISOLYSERGIC ACID METHYL ESTER
Preferred Name English
ERGOLINE-8-CARBOXYLIC ACID, 9,10-DIDEHYDRO-6-METHYL-, METHYL ESTER, (8.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
17L28CSQ85
Created by admin on Tue Apr 01 19:55:54 GMT 2025 , Edited by admin on Tue Apr 01 19:55:54 GMT 2025
PRIMARY
CAS
67215-36-5
Created by admin on Tue Apr 01 19:55:54 GMT 2025 , Edited by admin on Tue Apr 01 19:55:54 GMT 2025
PRIMARY
PUBCHEM
13243563
Created by admin on Tue Apr 01 19:55:54 GMT 2025 , Edited by admin on Tue Apr 01 19:55:54 GMT 2025
PRIMARY