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rocuronium bromide (Q27108171)

From Wikidata

chemical compound

1-Allyl-1-(3alpha,17beta-dihydroxy-2beta-morpholino-5alpha-androstan-16beta-yl)pyrrolidinium bromide, 17-acetate
17beta-acetoxy-16beta-(1-allylpyrrolidinium-1-yl)-3alpha-hydroxy-2beta-(morpholin-4-yl)-5alphaandrostane

Language	Label	Description	Also known as
default for all languages	No label defined
English	rocuronium bromide	chemical compound	1-Allyl-1-(3alpha,17beta-dihydroxy-2beta-morpholino-5alpha-androstan-16beta-yl)pyrrolidinium bromide, 17-acetate 17beta-acetoxy-16beta-(1-allylpyrrolidinium-1-yl)-3alpha-hydroxy-2beta-(morpholin-4-yl)-5alphaandrostane

Statements

type of chemical entity

0 references

chemical compound

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chemical structure

Rocuroniumbromid.svg
607 × 375; 18 KB

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Rocuronium-bromide-injection-500x500.webp
500 × 500; 13 KB

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chemical formula

C₃₂H₅₃BrN₂O₄

1 reference

language of work or name

ROCURONIUM BROMIDE (English)

18 November 2016

canonical SMILES

CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]

1 reference

language of work or name

ROCURONIUM BROMIDE (English)

18 November 2016

isomeric SMILES

CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]

1 reference

language of work or name

ROCURONIUM BROMIDE (English)

18 November 2016

World Health Organisation international non-proprietary name

rocuronium bromide (English)

1 reference

language of work or name

rocuronium bromide (English)

5 October 2016

physically interacts with

Cholinergic receptor nicotinic alpha 1 subunit

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL1200648

Cholinergic receptor nicotinic delta subunit

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL1200648

Cholinergic receptor nicotinic gamma subunit

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL1200648

Cholinergic receptor nicotinic epsilon subunit

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL1200648

608.319±0 dalton

1 reference

language of work or name

ROCURONIUM BROMIDE (English)

18 November 2016

Identifiers

InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1

1 reference

language of work or name

ROCURONIUM BROMIDE (English)

18 November 2016

OYTJKRAYGYRUJK-FMCCZJBLSA-M

2 references

language of work or name

ROCURONIUM BROMIDE (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

rocuronium bromide (English)

18 November 2016

OYTJKRAYGYRUJK-FMCCZJBLSA-M

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=119302-91-9

1 reference

language of work or name

Rocuronium bromide (English)

18 November 2016

2 references

language of work or name

ROCURONIUM BROMIDE (English)

18 November 2016

matched by identifier from

OYTJKRAYGYRUJK-FMCCZJBLSA-M

Reaxys registry number

7161858

1 reference

language of work or name

rocuronium bromide (English)

5 October 2016

mapping relation type

2 references

language of work or name

ROCURONIUM BROMIDE (English)

18 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1

1 reference

language of work or name

ROCURONIUM BROMIDE (English)

18 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

OYTJKRAYGYRUJK-FMCCZJBLSA-M

UniChem compound ID

1 reference

DSSTox substance ID

2 references

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

matched by identifier from

OYTJKRAYGYRUJK-FMCCZJBLSA-M

DSSTOX compound identifier

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

1-[17β-(Acetyloxy)-3α-hydroxy-2β-(morpholin-4-yl)-5α-androstan-16β-yl]-1-(prop-2-enyl) pyrrolidinium bromide (English)

CAS no.: 119302-91-9 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

1-[17β-(Acetyloxy)-3α-hydroxy-2β-(morpholin-4-yl)-5α-androstan-16β-yl]-1-(prop-2-enyl) pyrrolidinium bromide (English)

CAS no.: 119302-91-9 (English)

1 reference

Global Substance Registration System

language of work or name

rocuronium bromide (English)

18 November 2016

0 references

2 references

Global Substance Registration System

language of work or name

rocuronium bromide (English)

18 November 2016

matched by identifier from

OYTJKRAYGYRUJK-FMCCZJBLSA-M

1 reference

Global Substance Registration System

language of work or name

rocuronium bromide (English)

18 November 2016

Probes And Drugs ID

0 references

1 reference

language of work or name

rocuronium bromide (English)

5 October 2016

1 reference

26 January 2022

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

1 reference

26 January 2022

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

1 reference

Global Substance Registration System

language of work or name

rocuronium bromide (English)

18 November 2016

WikiProjectMed ID

0 references

Sitelinks

Wikipedia(20 entries)

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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