ombitasvir (Q19598175)

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chemical compound

ABT-267
ABT 267
dimethyl ([(2S,5S)-1-(4-tert-butylphenyl)pyrrolidine-2,5-diyl]bis{(4,1-phenylene)carbamoyl(2S)pyrrolidine-2,1-diyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})biscarbamate
Ombitasvir

Language	Label	Description	Also known as
English	ombitasvir	chemical compound	ABT-267 ABT 267 dimethyl ([(2S,5S)-1-(4-tert-butylphenyl)pyrrolidine-2,5-diyl]bis{(4,1-phenylene)carbamoyl(2S)pyrrolidine-2,1-diyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})biscarbamate Ombitasvir

Statements

type of chemical entity

0 references

heterocyclic compound

0 references

1 reference

Ombitasvir (English)

language of work or name

publication date

17 November 2015

chemical structure

Ombitasvir.svg
512 × 155; 16 KB

0 references

893.505112 dalton

1 reference

language of work or name

Ombitasvir (English)

4 October 2016

chemical formula

C₅₀H₆₇N₇O₈

1 reference

language of work or name

Ombitasvir (English)

19 November 2016

canonical SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)C3CCC(N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

1 reference

language of work or name

Ombitasvir (English)

19 November 2016

isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[C@@H]3CC[C@H](N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

1 reference

language of work or name

Ombitasvir (English)

19 November 2016

World Health Organisation international non-proprietary name

ombitasvir (English)

1 reference

language of work or name

ombitasvir (English)

4 October 2016

subject has role

1 reference

1 reference

CAS COVID-19 Anti-Viral Candidate Compounds

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Identifiers

InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1

1 reference

language of work or name

Ombitasvir (English)

19 November 2016

PIDFDZJZLOTZTM-KHVQSSSXSA-N

2 references

language of work or name

Ombitasvir (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

ombitasvir (English)

19 November 2016

PIDFDZJZLOTZTM-KHVQSSSXSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1258226-87-7

1 reference

language of work or name

Ombitasvir (English)

19 November 2016

2 references

language of work or name

Ombitasvir (English)

19 November 2016

matched by identifier from

PIDFDZJZLOTZTM-KHVQSSSXSA-N

Reaxys registry number

24582175

1 reference

language of work or name

ombitasvir (English)

4 October 2016

mapping relation type

2 references

language of work or name

OMBITASVIR (English)

19 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1

1 reference

language of work or name

OMBITASVIR (English)

19 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

PIDFDZJZLOTZTM-KHVQSSSXSA-N

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID201027920

1 reference

matched by identifier from

PIDFDZJZLOTZTM-KHVQSSSXSA-N

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

1 reference

Global Substance Registration System

language of work or name

ombitasvir (English)

19 November 2016

1 reference

matched by identifier from

PIDFDZJZLOTZTM-KHVQSSSXSA-N

2 references

Global Substance Registration System

language of work or name

ombitasvir (English)

19 November 2016

matched by identifier from

PIDFDZJZLOTZTM-KHVQSSSXSA-N

1 reference

Global Substance Registration System

language of work or name

ombitasvir (English)

19 November 2016

Probes And Drugs ID

0 references

1 reference

1 reference

language of work or name

ombitasvir (English)

4 October 2016

1 reference

6 April 2020

0 references

Microsoft Academic ID

0 references

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

ombitasvir (English)

19 November 2016

Sitelinks

Wikipedia(9 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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