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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

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

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
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 04:01:35 UTC 2023
Edited
by admin
on Sat Dec 16 04:01:35 UTC 2023
Record UNII
114UFJ65CL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(3-(DIMETHYLAMINO)PROPYL)-6-(2-PROPENYL)-ERGOLINE-8-CARBOXAMIDE, (8.BETA.)-
Systematic Name English
FCE-21590
Code 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 Sat Dec 16 04:01:35 UTC 2023 , Edited by admin on Sat Dec 16 04:01:35 UTC 2023
PRIMARY
CAS
85329-86-8
Created by admin on Sat Dec 16 04:01:35 UTC 2023 , Edited by admin on Sat Dec 16 04:01:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID40234529
Created by admin on Sat Dec 16 04:01:35 UTC 2023 , Edited by admin on Sat Dec 16 04:01:35 UTC 2023
PRIMARY
PUBCHEM
10927015
Created by admin on Sat Dec 16 04:01:35 UTC 2023 , Edited by admin on Sat Dec 16 04:01:35 UTC 2023
PRIMARY
Related Record Type Details
Structure of CABERGOLINE
PARENT -> METABOLITE
7% in urine
MINOR
URINE
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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