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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20N2O2
Molecular Weight 296.3636
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-ALLYL-8.BETA.-CARBOXYERGOLINE

SMILES

[H][C@@]12CC3=CNC4=C3C(=CC=C4)[C@@]1([H])C[C@H](CN2CC=C)C(O)=O

InChI

InChIKey=YAICYXFUKKMAKO-XNRPHZJLSA-N
InChI=1S/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12-,14-,16-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
6-ALLYL-8.BETA.-CARBOXYERGOLINE
Systematic Name English
ERGOLINE-8-CARBOXYLIC ACID, 6-(2-PROPEN-1-YL)-, (8.BETA.)-
Common Name English
FCE-21589
Code English
FCE21589
Code English
CABERGOLINE RELATED COMPOUND A [USP IMPURITY]
Common Name English
CABERGOLINE IMPURITY A [EP IMPURITY]
Common Name English
(6AR,9R,10AR)-7-(PROP-2-ENYL)-4,6,6A,7,8,9,10,10A-OCTAHYDROINDOLO(4,3-FG)QUINOLINE-9-CARBOXYLIC ACID
Common Name English
6-(2-PROPENYL)DIHYDROLYSERGIC ACID
Common Name English
Code System Code Type Description
CAS
81409-74-7
Created by admin on Sat Dec 16 03:15:11 GMT 2023 , Edited by admin on Sat Dec 16 03:15:11 GMT 2023
PRIMARY
FDA UNII
1A04W9L14A
Created by admin on Sat Dec 16 03:15:11 GMT 2023 , Edited by admin on Sat Dec 16 03:15:11 GMT 2023
PRIMARY
PUBCHEM
14380957
Created by admin on Sat Dec 16 03:15:11 GMT 2023 , Edited by admin on Sat Dec 16 03:15:11 GMT 2023
PRIMARY