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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H42N6O3
Molecular Weight 522.6822
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=MNAGYQBVKIBCGP-GZGNHOFSSA-N
InChI=1S/C29H42N6O3/c1-6-13-33-18-21(27(36)34(28(37)30-7-2)15-10-14-32(4)5)16-23-22-11-9-12-24-26(22)20(17-25(23)33)19-35(24)29(38)31-8-3/h6,9,11-12,19,21,23,25H,1,7-8,10,13-18H2,2-5H3,(H,30,37)(H,31,38)/t21-,23-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H42N6O3
Molecular Weight 522.6822
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 03:05:58 GMT 2023
Edited
by admin
on Sat Dec 16 03:05:58 GMT 2023
Record UNII
5A8SL691O4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERGOLINE-1,8-DICARBOXAMIDE, N8-(3-(DIMETHYLAMINO)PROPYL)-N1-ETHYL-N8-((ETHYLAMINO)CARBONYL)-6-(2-PROPENYL)-, (8.BETA.)-
Systematic Name English
CABERGOLINE RELATED COMPOUND C [USP IMPURITY]
Common Name English
CABERGOLINE IMPURITY C [EP IMPURITY]
Common Name English
(6AR,9R,10AR)-N9-(3-(DIMETHYLAMINO)PROPYL)-N4-ETHYL-N9-(ETHYLCARBAMOYL)-7-(PROP2-ENYL)-6A,7,8,9,10,10A-HEXAHYDROINDOLO(4,3-FG)QUINOLINE-4,9(6H)-DICARBOXAMIDE
Common Name English
Code System Code Type Description
CAS
126554-50-5
Created by admin on Sat Dec 16 03:05:58 GMT 2023 , Edited by admin on Sat Dec 16 03:05:58 GMT 2023
PRIMARY
PUBCHEM
14380974
Created by admin on Sat Dec 16 03:05:58 GMT 2023 , Edited by admin on Sat Dec 16 03:05:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID10155212
Created by admin on Sat Dec 16 03:05:58 GMT 2023 , Edited by admin on Sat Dec 16 03:05:58 GMT 2023
PRIMARY
FDA UNII
5A8SL691O4
Created by admin on Sat Dec 16 03:05:58 GMT 2023 , Edited by admin on Sat Dec 16 03:05:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP