dihydroergotamine (Q421336)

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chemical compound
  • DHE111
  • D.H.E. 45®
  • Migranal®
  • 5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
  • 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
  • 9,10-dihydroergotamine
  • (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
  • Dihydroergotamin
  • Diidroergotamina
  • Dihydroergotamine
  • Dihidroergotamina
  • 9,10-dihydro-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
  • 5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
  • Dihydroergotaminum
edit
Language Label Description Also known as
English
dihydroergotamine
chemical compound
  • DHE111
  • D.H.E. 45®
  • Migranal®
  • 5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
  • 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
  • 9,10-dihydroergotamine
  • (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
  • Dihydroergotamin
  • Diidroergotamina
  • Dihydroergotamine
  • Dihidroergotamina
  • 9,10-dihydro-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
  • 5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
  • Dihydroergotaminum

Statements

has use
medication
0 references
mass
583.279 dalton
1 reference
stated in
PubChem
PubChem CID
10531
language of work or name
English
title
dihydroergotamine (English)
retrieved
18 November 2016
chemical formula
C₃₃H₃₇N₅O₅
1 reference
stated in
PubChem
PubChem CID
10531
language of work or name
English
title
dihydroergotamine (English)
retrieved
18 November 2016
canonical SMILES
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C
1 reference
stated in
PubChem
PubChem CID
10531
language of work or name
English
title
dihydroergotamine (English)
retrieved
18 November 2016
isomeric SMILES
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C
1 reference
stated in
PubChem
PubChem CID
10531
language of work or name
English
title
dihydroergotamine (English)
retrieved
18 November 2016
significant drug interaction
legal status (medicine)
boxed warning
1 reference
reference URL
https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802
title
FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)
has part(s)
nitrogen
0 references
carbon
0 references
Commons category
Dihydroergotamine
0 references

Identifiers

ChemSpider ID
10091
1 reference
stated in
ChemSpider
ChemSpider ID
10091
language of work or name
English
title
dihydroergotamine (English)
retrieved
18 November 2016
Reaxys registry number
78887
1 reference
stated in
ChEBI
ChEBI ID
4562
language of work or name
English
title
dihydroergotamine (English)
retrieved
19 October 2016
ChEMBL ID
CHEMBL1732
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL1732
language of work or name
English
title
DIHYDROERGOTAMINE (English)
retrieved
18 November 2016
ECHA Substance Infocard ID
100.007.386
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.007.386
retrieved
27 December 2018
title
Dihydroergotamine (English)
quotation
CAS no.: 511-12-6 (English)
ATC code
N02CA01
1 reference
stated in
DrugBank
DrugBank ID
00320
language of work or name
English
title
Dihydroergotamine (English)
publication date
17 November 2015
MeSH descriptor ID
D004087
subject named as
Dihydroergotamine
0 references
MeSH concept ID
M0006401
0 references
KNApSAcK ID
C00001724
1 reference
stated in
ChEBI
ChEBI ID
4562
language of work or name
English
title
dihydroergotamine (English)
retrieved
19 October 2016
KEGG ID
C07798
1 reference
stated in
ChEBI
ChEBI ID
4562
language of work or name
English
title
dihydroergotamine (English)
retrieved
19 October 2016
D07837
1 reference
stated in
ChEBI
ChEBI ID
4562
language of work or name
English
title
dihydroergotamine (English)
retrieved
19 October 2016
PDB ligand ID
2GM
0 references
DeCS ID
4127
0 references
 
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