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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23N3O2
Molecular Weight 325.4048
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERGOMETRININE

SMILES

[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)C(=O)N[C@@H](C)CO

InChI

InChIKey=WVVSZNPYNCNODU-PLQHRBFRSA-N
InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H23N3O2
Molecular Weight 325.4048
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 08:33:22 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:22 GMT 2023
Record UNII
5EXN22NGMW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERGOMETRININE
MI  
Common Name English
D-LYSERGIC ACID D-PROPANOLAMIDE
Common Name English
ERGOMETRINE MALEATE IMPURITY F [EP IMPURITY]
Common Name English
ERGOMETRININE [MI]
Common Name English
ERGOMETRININ
Common Name English
ERGOBASININE
Common Name English
ERGONOVININE
Common Name English
ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-N-((1S)-2-HYDROXY-1-METHYLETHYL)-6-METHYL-, (8.ALPHA.)-
Systematic Name English
(8.ALPHA.)-9,10-DIDEHYDRO-N-((1S)-2-HYDROXY-1-METHYLETHYL)-6-METHYLERGOLINE-8-CARBOXAMIDE
Systematic Name English
ISOERGOMETRINE
Common Name English
ERGOBASININ
Common Name English
(8α)-N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide
Systematic Name English
Code System Code Type Description
CAS
479-00-5
Created by admin on Sat Dec 16 08:33:22 GMT 2023 , Edited by admin on Sat Dec 16 08:33:22 GMT 2023
PRIMARY
MERCK INDEX
m4981
Created by admin on Sat Dec 16 08:33:22 GMT 2023 , Edited by admin on Sat Dec 16 08:33:22 GMT 2023
PRIMARY Merck Index
WIKIPEDIA
Ergometrinine
Created by admin on Sat Dec 16 08:33:22 GMT 2023 , Edited by admin on Sat Dec 16 08:33:22 GMT 2023
PRIMARY
FDA UNII
5EXN22NGMW
Created by admin on Sat Dec 16 08:33:22 GMT 2023 , Edited by admin on Sat Dec 16 08:33:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID90893241
Created by admin on Sat Dec 16 08:33:22 GMT 2023 , Edited by admin on Sat Dec 16 08:33:22 GMT 2023
PRIMARY
PUBCHEM
5486180
Created by admin on Sat Dec 16 08:33:22 GMT 2023 , Edited by admin on Sat Dec 16 08:33:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY