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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H33N3O.C4H4O4
Molecular Weight 483.5998
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-((8A)-2,6-DIMETHYLERGOLIN-8-YL)-2-ETHYL-2-METHYLBUTANAMIDE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CCC(C)(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=C(C)NC4=C3C2=CC=C4)N(C)C1

InChI

InChIKey=QKUBMKFIKXDNPH-UORWMGOSSA-N
InChI=1S/C23H33N3O.C4H4O4/c1-6-23(4,7-2)22(27)25-15-11-18-16-9-8-10-19-21(16)17(14(3)24-19)12-20(18)26(5)13-15;5-3(6)1-2-4(7)8/h8-10,15,18,20,24H,6-7,11-13H2,1-5H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,18+,20+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C23H33N3O
Molecular Weight 367.5276
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 13:08:41 UTC 2019
Edited
by admin
on Tue Oct 22 13:08:41 UTC 2019
Record UNII
FV5Y6E0Y2X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((8A)-2,6-DIMETHYLERGOLIN-8-YL)-2-ETHYL-2-METHYLBUTANAMIDE MALEATE
Systematic Name English
BUTANAMIDE, N-((8.ALPHA.)-2,6-DIMETHYLERGOLIN-8-YL)-2-ETHYL-2-METHYL-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
121879-59-2
Created by admin on Tue Oct 22 13:08:41 UTC 2019 , Edited by admin on Tue Oct 22 13:08:41 UTC 2019
PRIMARY
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