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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H37N5O2
Molecular Weight 451.6043
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N8-(3-(DIMETHYLAMINO)PROPYL)-N1-ETHYL-6-(2-PROPENYL)-ERGOLINE-1,8-DICARBOXAMIDE, (8.BETA.)-

SMILES

CCNC(=O)N1C=C2C[C@@H]3[C@H](C[C@H](CN3CC=C)C(=O)NCCCN(C)C)C4=CC=CC1=C24

InChI

InChIKey=IRQIOIBAVPLXLF-KJXAQDMKSA-N
InChI=1S/C26H37N5O2/c1-5-12-30-16-19(25(32)28-11-8-13-29(3)4)14-21-20-9-7-10-22-24(20)18(15-23(21)30)17-31(22)26(33)27-6-2/h5,7,9-10,17,19,21,23H,1,6,8,11-16H2,2-4H3,(H,27,33)(H,28,32)/t19-,21-,23-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CABERGOLINE IMPURITY B [EP IMPURITY]
Preferred Name English
N8-(3-(DIMETHYLAMINO)PROPYL)-N1-ETHYL-6-(2-PROPENYL)-ERGOLINE-1,8-DICARBOXAMIDE, (8.BETA.)-
Systematic Name English
CABERGOLINE RELATED COMPOUND B [USP IMPURITY]
Common Name English
(6AR,9R,10AR)-N9-(3-(DIMETHYLAMINO)PROPYL)-N4-ETHYL-7-(PROP-2-ENYL)6A,7,8,9,10,10A-HEXAHYDROINDOLO(4,3-FG)QUINOLINE-4,9(6H)-DICARBOXAMIDE
Common Name English
ERGOLINE-1,8-DICARBOXAMIDE, N8-(3-(DIMETHYLAMINO)PROPYL)-N1-ETHYL-6-(2-PROPENYL)-, (8.BETA.)-
Systematic Name English
Code System Code Type Description
CAS
166533-36-4
Created by admin on Mon Mar 31 21:20:20 GMT 2025 , Edited by admin on Mon Mar 31 21:20:20 GMT 2025
PRIMARY
FDA UNII
3LCV6MB85B
Created by admin on Mon Mar 31 21:20:20 GMT 2025 , Edited by admin on Mon Mar 31 21:20:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID00168119
Created by admin on Mon Mar 31 21:20:20 GMT 2025 , Edited by admin on Mon Mar 31 21:20:20 GMT 2025
PRIMARY
PUBCHEM
71587562
Created by admin on Mon Mar 31 21:20:20 GMT 2025 , Edited by admin on Mon Mar 31 21:20:20 GMT 2025
PRIMARY