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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

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

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

Molecular Formula C26H37N5O2
Molecular Weight 451.6043
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:01:35 GMT 2023
Edited
by admin
on Sat Dec 16 04:01:35 GMT 2023
Record UNII
3LCV6MB85B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N8-(3-(DIMETHYLAMINO)PROPYL)-N1-ETHYL-6-(2-PROPENYL)-ERGOLINE-1,8-DICARBOXAMIDE, (8.BETA.)-
Systematic Name English
CABERGOLINE IMPURITY B [EP IMPURITY]
Common 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 Sat Dec 16 04:01:35 GMT 2023 , Edited by admin on Sat Dec 16 04:01:35 GMT 2023
PRIMARY
FDA UNII
3LCV6MB85B
Created by admin on Sat Dec 16 04:01:35 GMT 2023 , Edited by admin on Sat Dec 16 04:01:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID00168119
Created by admin on Sat Dec 16 04:01:35 GMT 2023 , Edited by admin on Sat Dec 16 04:01:35 GMT 2023
PRIMARY
PUBCHEM
71587562
Created by admin on Sat Dec 16 04:01:35 GMT 2023 , Edited by admin on Sat Dec 16 04:01:35 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP