methysergide (Q424442)

methysergide (English)

(6aR,9S)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

18 November 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₇N₃O₂

1 reference

methysergide (English)

18 November 2016

canonical SMILES

CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C

1 reference

methysergide (English)

18 November 2016

isomeric SMILES

CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C

1 reference

methysergide (English)

https://www.whocc.no/atc_ddd_index/?code=N02CA04

18 November 2016

defined daily dose

4 milligram

route of administration

oral administration

1 reference

reference URL

physically interacts with

5-hydroxytryptamine receptor 1B

1 reference

5-hydroxytryptamine receptor 1D

17 August 2016

1 reference

5-hydroxytryptamine receptor 1E

17 August 2016

1 reference

5-hydroxytryptamine receptor 1F

17 August 2016

1 reference

5-hydroxytryptamine receptor 2A

17 August 2016

1 reference

5-hydroxytryptamine receptor 2B

17 August 2016

1 reference

5-hydroxytryptamine receptor 2C

17 August 2016

1 reference

5-hydroxytryptamine receptor 5A

17 August 2016

1 reference

5-hydroxytryptamine (serotonin) receptor 5A

17 August 2016

1 reference

5-hydroxytryptamine receptor 6

17 August 2016

1 reference

5-hydroxytryptamine receptor 7

17 August 2016

1 reference

5-hydroxytryptamine (serotonin) receptor 7

17 August 2016

1 reference

Australian pregnancy category C

17 August 2016

pregnancy category

1 reference

imported from Wikimedia project

English Wikipedia

US pregnancy category X

1 reference

imported from Wikimedia project

English Wikipedia

serotonin receptor agonists

1 reference

5 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

D008784

15 March 2018

vasoconstrictor agents

1 reference

InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1

Medical Subject Headings

15 March 2018

Methysergide

0 references

Identifiers

InChI

1 reference

methysergide (English)

18 November 2016

2 references

methysergide (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

361-37-5

2 references

methysergide (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=361-37-5

8 April 2021

1 reference

Methysergide (English)

18 November 2016

2 references

methysergide (English)

18 November 2016

Reaxys registry number

765986

0 references

ChEBI ID

92629

mapping relation type

2 references

(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (English)

3 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1

1 reference

METHYSERGIDE (English)

18 November 2016

2 references

inferred from InChIKey

splash10-0udi-0019000000-70311c5b91790ff22836

1 reference

MassBank accession ID

MSBNK-Keio_Univ-KO003557

0 references

MSBNK-Keio_Univ-KO003558

0 references

MSBNK-Keio_Univ-KO003559

0 references

MSBNK-Keio_Univ-KO003560

0 references

MSBNK-Keio_Univ-KO003561

0 references

MSBNK-Keio_Univ-KO009047

0 references

MSBNK-Keio_Univ-KO009048

0 references

MSBNK-Keio_Univ-KO009049

0 references

MSBNK-Keio_Univ-KO009050

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SPLASH

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splash10-0fki-0194000000-745fcdfe69851c04aeb0

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splash10-00di-0290000000-f50cd09c1120fca98280

0 references

splash10-05fu-0490000000-e4b9328566965434c8a3

0 references

splash10-01p9-0094000000-ec1e227698cd61a5f491

0 references

splash10-00du-0290000000-88752191eba77aeb09a7

0 references

splash10-00di-0290000000-7b494a9264191379fcca

0 references

splash10-03dj-0690000000-902a94c1d2429f205994

0 references

HSDB ID

3237

1 reference

Hazardous Substances Data Bank

28 October 2019

METHYSERGIDE (English)

10 May 2021

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

1 reference

methysergide (English)

ECHA Substance Infocard ID

18 November 2016

100.006.041

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.006.041

27 December 2018

Methysergide (English)

quotation

CAS no.: 361-37-5 (English)

1 reference

Methysergide (English)

publication date

17 November 2015

1 reference

methysergide (English)

18 November 2016

Methysergide

0 references

0 references

0 references

1 reference

methysergide (English)

18 November 2016

0 references

2 references

methysergide (English)

18 November 2016

NDF-RT ID

N0000147921

1 reference

methysergide (English)

18 November 2016

0 references

1 reference

1 reference

https://docs.openalex.org/download-snapshot/snapshot-data-format

Methysergide (English)

19 January 2016

0 references

0 references

1 reference

28 October 2013

1 reference

9 July 2020

Microsoft Academic ID

0 references

1 reference

26 January 2022

Römpp online ID

RD-13-02088

1 reference

imported from Wikimedia project

1 reference

methysergide (English)