ergotamine tartrate (Q27284199)

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chemical compound

Ergotamine tartrate

Language	Label	Description	Also known as
English	ergotamine tartrate	chemical compound	Ergotamine tartrate

Statements

type of chemical entity

0 references

chemical compound

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1,312.544±0 dalton

1 reference

language of work or name

UNII-MRU5XH3B48 (English)

17 November 2016

chemical formula

C₇₀H₇₆N₁₀O₁₆

1 reference

language of work or name

UNII-MRU5XH3B48 (English)

17 November 2016

canonical SMILES

CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.C(C(C(=O)O)O)(C(=O)O)O

1 reference

language of work or name

UNII-MRU5XH3B48 (English)

17 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]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.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]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

1 reference

language of work or name

UNII-MRU5XH3B48 (English)

17 November 2016

legal status (medicine)

1 reference

https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802

FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)

subject has role

developmental toxicant

1 April 1990

1 reference

California Proposition 65 list of chemicals

26 February 2020

https://oehha.ca.gov/chemicals/ergotamine-tartrate

Identifiers

InChI=1S/2C33H35N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,25-,26+,27+,32-,33+;1-,2-/m111/s1

1 reference

language of work or name

UNII-MRU5XH3B48 (English)

17 November 2016

CJMJLDQKTOJACI-BGQAIRJTSA-N

1 reference

language of work or name

UNII-MRU5XH3B48 (English)

17 November 2016

CAS Registry Number

1 reference

Global Substance Registration System

language of work or name

ergotamine tartrate (English)

17 November 2016

1 reference

language of work or name

Ergotamine D-tartrate (English)

17 November 2016

1 reference

language of work or name

UNII-MRU5XH3B48 (English)

17 November 2016

1 reference

language of work or name

CHEMBL2131781 (English)

17 November 2016

UniChem compound ID

1 reference

CAMEO Chemicals ID

0 references

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DSSTox substance ID

1 reference

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

DSSTOX compound identifier

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0 references

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206-835-9

1 reference

Global Substance Registration System

language of work or name

ergotamine tartrate (English)

17 November 2016

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Ergotamine tartrate (English)

CAS no.: 379-79-3 (English)

AICS Chemical ID (BEING DELETED)

0 references

1 reference

Global Substance Registration System

language of work or name

ergotamine tartrate (English)

17 November 2016

1 reference

Global Substance Registration System

language of work or name

ergotamine tartrate (English)

17 November 2016

1 reference

Global Substance Registration System

language of work or name

ergotamine tartrate (English)

17 November 2016

ergotamine-tartrate

1 reference

California Proposition 65 list of chemicals

6 January 2020

https://oehha.ca.gov/chemicals/ergotamine-tartrate

1 reference

Global Substance Registration System

language of work or name

ergotamine tartrate (English)

17 November 2016

0 references

Sitelinks

Wikipedia(2 entries)

dewiki Ergotamintartrat
enwiki Ergotamine tartrate

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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