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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H43N5O4
Molecular Weight 609.7577
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dihydroergocristam

SMILES

CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2CC3=CNC4=C3C(=CC=C4)[C@@]2(C)C1)C(=O)N5[C@@H](CC6=CC=CC=C6)C(=O)N7CCC[C@H]7C5=O

InChI

InChIKey=SYMOJTCOHVIELO-YACIHJIPSA-N
InChI=1S/C36H43N5O4/c1-21(2)31(35(45)41-28(16-22-10-6-5-7-11-22)33(43)40-15-9-14-27(40)34(41)44)38-32(42)24-18-36(3)25-12-8-13-26-30(25)23(19-37-26)17-29(36)39(4)20-24/h5-8,10-13,19,21,24,27-29,31,37H,9,14-18,20H2,1-4H3,(H,38,42)/t24-,27+,28+,29-,31+,36-/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H43N5O4
Molecular Weight 609.7577
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:38:38 GMT 2025
Edited
by admin
on Wed Apr 02 17:38:38 GMT 2025
Record UNII
QQ4XC38W22
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CODERGOCRINE MESILATE IMPURITY E [EP IMPURITY]
Preferred Name English
Dihydroergocristam
Common Name English
N-[(2S)-1-[(3S,8aS)-3-benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl]-6-methylergoline-8?-carboxamide
Systematic Name English
Code System Code Type Description
FDA UNII
QQ4XC38W22
Created by admin on Wed Apr 02 17:38:38 GMT 2025 , Edited by admin on Wed Apr 02 17:38:38 GMT 2025
PRIMARY
PUBCHEM
168429549
Created by admin on Wed Apr 02 17:38:38 GMT 2025 , Edited by admin on Wed Apr 02 17:38:38 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY