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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23N3O.C4H6O6
Molecular Weight 447.4816
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-ETHYL-ERGOLINE-(8.BETA.)-ACETAMIDE TARTRATE (1:1)

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CC(N)=O)CN2CC

InChI

InChIKey=AIDLZXIROZMUHT-DTHNAWFCSA-N
InChI=1S/C18H23N3O.C4H6O6/c1-2-21-10-11(7-17(19)22)6-14-13-4-3-5-15-18(13)12(9-20-15)8-16(14)21;5-1(3(7)8)2(6)4(9)10/h3-5,9,11,14,16,20H,2,6-8,10H2,1H3,(H2,19,22);1-2,5-6H,(H,7,8)(H,9,10)/t11-,14+,16+;1-,2-/m01/s1

HIDE SMILES / InChI

Molecular Formula C18H23N3O
Molecular Weight 297.3947
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:02:10 GMT 2023
Edited
by admin
on Sat Dec 16 08:02:10 GMT 2023
Record UNII
7OVZ092D5I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-ETHYL-ERGOLINE-(8.BETA.)-ACETAMIDE TARTRATE (1:1)
Common Name English
ERGOLINE-8-ACETAMIDE, 6-ETHYL-, (8.BETA.)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1)
Systematic Name English
ERGOLINE-8-ACETAMIDE, 6-ETHYL-, (8-BETA)-, (R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE (1:1)
Common Name English
Code System Code Type Description
FDA UNII
7OVZ092D5I
Created by admin on Sat Dec 16 08:02:10 GMT 2023 , Edited by admin on Sat Dec 16 08:02:10 GMT 2023
PRIMARY
CAS
67658-42-8
Created by admin on Sat Dec 16 08:02:10 GMT 2023 , Edited by admin on Sat Dec 16 08:02:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID50987019
Created by admin on Sat Dec 16 08:02:10 GMT 2023 , Edited by admin on Sat Dec 16 08:02:10 GMT 2023
PRIMARY
PUBCHEM
119025658
Created by admin on Sat Dec 16 08:02:10 GMT 2023 , Edited by admin on Sat Dec 16 08:02:10 GMT 2023
PRIMARY