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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H25N3O2
Molecular Weight 327.4207
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dihydroergometrine

SMILES

[H][C@@]12CC3=CNC4=C3C(=CC=C4)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@H](C)CO

InChI

InChIKey=OIUFQILCIFKJNZ-BYMSMCERSA-N
InChI=1S/C19H25N3O2/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/h3-5,8,11,13,15,17,20,23H,6-7,9-10H2,1-2H3,(H,21,24)/t11-,13+,15+,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H25N3O2
Molecular Weight 327.4207
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:50:27 GMT 2023
Edited
by admin
on Sat Dec 16 19:50:27 GMT 2023
Record UNII
RP852B7XT3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Dihydroergometrine
Common Name English
N-[(2S)-1-hydroxypropan-2-yl]-6-methylergoline-8β-carboxamide
Systematic Name English
(2R,4R,7R)-N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
Systematic Name English
Codergocrine Mesilate Impurity F [Ep Impurity]
Common Name English
9,10-Dihydroergometrine
Common Name English
(8β)-N-[(1S)-2-Hydroxy-1-methylethyl]-6-methylergoline-8-carboxamide
Systematic Name English
Ergoline-8-carboxamide, N-[(1S)-2-hydroxy-1-methylethyl]-6-methyl-
Systematic Name English
Code System Code Type Description
CAS
62841-02-5
Created by admin on Sat Dec 16 19:50:27 GMT 2023 , Edited by admin on Sat Dec 16 19:50:27 GMT 2023
PRIMARY
FDA UNII
RP852B7XT3
Created by admin on Sat Dec 16 19:50:27 GMT 2023 , Edited by admin on Sat Dec 16 19:50:27 GMT 2023
PRIMARY
PUBCHEM
12940522
Created by admin on Sat Dec 16 19:50:27 GMT 2023 , Edited by admin on Sat Dec 16 19:50:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY