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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

[H][C@@]12CC3=CN(CC=C)C4=CC=CC(=C34)[C@@]1([H])C=C(CO)CN2C

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 Sat Dec 16 08:15:07 GMT 2023
Edited
by admin
on Sat Dec 16 08:15:07 GMT 2023
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)-
Systematic Name English
Code System Code Type Description
CAS
91897-48-2
Created by admin on Sat Dec 16 08:15:07 GMT 2023 , Edited by admin on Sat Dec 16 08:15:07 GMT 2023
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FDA UNII
SOL641U17E
Created by admin on Sat Dec 16 08:15:07 GMT 2023 , Edited by admin on Sat Dec 16 08:15:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID40238744
Created by admin on Sat Dec 16 08:15:07 GMT 2023 , Edited by admin on Sat Dec 16 08:15:07 GMT 2023
PRIMARY
PUBCHEM
163599
Created by admin on Sat Dec 16 08:15:07 GMT 2023 , Edited by admin on Sat Dec 16 08:15:07 GMT 2023
PRIMARY