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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32N4O
Molecular Weight 380.5264
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(3-(DIMETHYLAMINO)PROPYL)-6-(2-PROPENYL)-ERGOLINE-8-CARBOXAMIDE, (8.BETA.)-

SMILES

CN(C)CCCNC(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=C3C2=CC=C4)N(CC=C)C1

InChI

InChIKey=JJTHJEHDIBAMMM-YFVAEKQCSA-N
InChI=1S/C23H32N4O/c1-4-10-27-15-17(23(28)24-9-6-11-26(2)3)12-19-18-7-5-8-20-22(18)16(14-25-20)13-21(19)27/h4-5,7-8,14,17,19,21,25H,1,6,9-13,15H2,2-3H3,(H,24,28)/t17-,19-,21-/m1/s1

HIDE SMILES / InChI
Molecular Formula C23H32N4O
Molecular Weight 380.5264
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:20:19 GMT 2025
Edited
by admin
on Mon Mar 31 21:20:19 GMT 2025
Record UNII
114UFJ65CL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FCE-21590
Preferred Name English
N-(3-(DIMETHYLAMINO)PROPYL)-6-(2-PROPENYL)-ERGOLINE-8-CARBOXAMIDE, (8.BETA.)-
Systematic Name English
CABERGOLINE IMPURITY D [EP IMPURITY]
Common Name English
(6AR,9R,10AR)-N-(3-(DIMETHYLAMINO)PROPYL)-7-(PROP-2-ENYL)-4,6,6A,7,8,9,10,10A-OCTAHYDROINDOLO(4,3-FG)QUINOLINE-9-CARBOXAMIDE
Common Name English
CABERGOLINE RELATED COMPOUND D [USP IMPURITY]
Common Name English
ERGOLINE-8-CARBOXAMIDE, N-(3-(DIMETHYLAMINO)PROPYL)-6-(2-PROPENYL)-, (8.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
114UFJ65CL
Created by admin on Mon Mar 31 21:20:19 GMT 2025 , Edited by admin on Mon Mar 31 21:20:19 GMT 2025
PRIMARY
CAS
85329-86-8
Created by admin on Mon Mar 31 21:20:19 GMT 2025 , Edited by admin on Mon Mar 31 21:20:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID40234529
Created by admin on Mon Mar 31 21:20:19 GMT 2025 , Edited by admin on Mon Mar 31 21:20:19 GMT 2025
PRIMARY
PUBCHEM
10927015
Created by admin on Mon Mar 31 21:20:19 GMT 2025 , Edited by admin on Mon Mar 31 21:20:19 GMT 2025
PRIMARY
Related Record Type Details
Structure of CABERGOLINE
PARENT -> METABOLITE
Related Record Type Details
Structure of CABERGOLINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of CABERGOLINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
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