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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N2O
Molecular Weight 294.3908
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-ALLYLELYMOCLAVINE

SMILES

CN1CC(CO)=C[C@H]2[C@H]1CC3=CN(CC=C)C4=C3C2=CC=C4

InChI

InChIKey=INGYAWPTEWYFHI-SJLPKXTDSA-N
InChI=1S/C19H22N2O/c1-3-7-21-11-14-9-18-16(8-13(12-22)10-20(18)2)15-5-4-6-17(21)19(14)15/h3-6,8,11,16,18,22H,1,7,9-10,12H2,2H3/t16-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H22N2O
Molecular Weight 294.3908
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 Mon Mar 31 21:57:32 GMT 2025
Edited
by admin
on Mon Mar 31 21:57:32 GMT 2025
Record UNII
SOL641U17E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-ALLYLELYMOCLAVINE
Common Name English
ERGOLINE-8-METHANOL, 8,9-DIDEHYDRO-6-METHYL-2-(2-PROPENYL)-
Preferred Name English
Code System Code Type Description
CAS
91897-48-2
Created by admin on Mon Mar 31 21:57:32 GMT 2025 , Edited by admin on Mon Mar 31 21:57:32 GMT 2025
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FDA UNII
SOL641U17E
Created by admin on Mon Mar 31 21:57:32 GMT 2025 , Edited by admin on Mon Mar 31 21:57:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID40238744
Created by admin on Mon Mar 31 21:57:32 GMT 2025 , Edited by admin on Mon Mar 31 21:57:32 GMT 2025
PRIMARY
PUBCHEM
163599
Created by admin on Mon Mar 31 21:57:32 GMT 2025 , Edited by admin on Mon Mar 31 21:57:32 GMT 2025
PRIMARY