elbasvir (Q19904043)

28 February 2017

1 reference

28 February 2017

Elbasvir.svg
512 × 194; 16 KB

0 references

mass

881.422445 dalton

1 reference

Elbasvir (English)

4 October 2016

C₄₉H₅₅N₉O₇

1 reference

Elbasvir (English)

19 November 2016

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC4=C(C=C3)N5C(OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)C8CCCN8C(=O)C(C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC

1 reference

Elbasvir (English)

19 November 2016

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC

1 reference

European Medicines Agency product number

Elbasvir (English)

19 November 2016

1 reference

EMEA/H/C/004126

reference URL

http://www.ema.europa.eu/ema/index.jsp?curl=pages/medicines/human/medicines/004126/human_med_002001.jsp

retrieved

22 March 2017

LiverTox likelihood score

LiverTox toxicity likelihood category E*

1 reference

8 April 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/Zepatier

last update

22 March 2018

subject has role

xenobiotic-transporting ATPase inhibitor

1 reference

5 March 2018

Elbasvir

0 references

catalog

CAS COVID-19 Anti-Viral Candidate Compounds

0 references

Identifiers

InChI

InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1

1 reference

BVAZQCUMNICBAQ-PZHYSIFUSA-N

Elbasvir (English)

19 November 2016

2 references

Elbasvir (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

1370468-36-2

2 references

BVAZQCUMNICBAQ-PZHYSIFUSA-N

28 February 2017

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1370468-36-2

1 reference

Elbasvir (English)

19 November 2016

1 reference

Elbasvir (English)

19 November 2016

mapping relation type

exact match

2 references

matched by identifier from

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1

1 reference

DSSTOX compound identifier

ELBASVIR (English)

19 November 2016

1 reference

0 references

0 references

0 references

806-907-5

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.234.242

retrieved

27 December 2018

title

Dimethyl N,N′-([(6S)-6-phenylindolo[1,2-c][1,3]benzoxazine-3,10-diyl]bis{1H-imidazole-5,2-diyl-(2S)-pyrrolidine-2,1-diyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})dicarbamate (English)

quotation

CAS no.: 1370468-36-2 (English)

ECHA Substance Infocard ID

100.234.242

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.234.242

retrieved

27 December 2018

title

Dimethyl N,N′-([(6S)-6-phenylindolo[1,2-c][1,3]benzoxazine-3,10-diyl]bis{1H-imidazole-5,2-diyl-(2S)-pyrrolidine-2,1-diyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})dicarbamate (English)

quotation

CAS no.: 1370468-36-2 (English)

RxNorm ID

1734628

1 reference

UNII

632L571YDK