(Q27156749)

VORAPAXAR SULFATE (English)

9 October 2016

chemical formula

C₂₉H₃₅FN₂O₈S

1 reference

VORAPAXAR SULFATE (English)

19 November 2016

canonical SMILES

CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(OC3=O)C.OS(=O)(=O)O

1 reference

VORAPAXAR SULFATE (English)

19 November 2016

isomeric SMILES

CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F)[C@H](OC3=O)C.OS(=O)(=O)O

1 reference

VORAPAXAR SULFATE (English)

European Medicines Agency product number

19 November 2016

active ingredient in

Zontivity

1 reference

EMEA/H/C/002814

reference URL

http://www.ema.europa.eu/ema/index.jsp?curl=pages/medicines/human/medicines/002814/human_med_001839.jsp

InChI=1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1

22 March 2017

Identifiers

InChI

1 reference

VORAPAXAR SULFATE (English)

19 November 2016

2 references

VORAPAXAR SULFATE (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

705260-08-8

2 references

vorapaxar sulfate (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=705260-08-8

10 April 2021

1 reference

Vorapaxar Sulfate (English)

19 November 2016

2 references

VORAPAXAR SULFATE (English)

19 November 2016

24742815

1 reference

Reaxys registry number

12646217

1 reference

vorapaxar sulfate (English)

9 October 2016

ChEBI ID

83314

mapping relation type

2 references

VORAPAXAR SULFATE (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1

1 reference

VORAPAXAR SULFATE (English)

19 November 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID401417826

0 references

EC number

686-297-3

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.212.052

27 December 2018

ECHA Substance Infocard ID

[No public or meaningful name is available] (English)

quotation

CAS no.: 705260-08-8 (English)

100.212.052

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.212.052

27 December 2018

[No public or meaningful name is available] (English)

quotation

CAS no.: 705260-08-8 (English)

RxNorm ID

1537050

1 reference

vorapaxar sulfate (English)

19 November 2016

2 references

vorapaxar sulfate (English)

19 November 2016

NDF-RT ID

N0000190756

1 reference

vorapaxar sulfate (English)

19 November 2016

0 references

1 reference

vorapaxar sulfate (English)

9 October 2016

1 reference

vorapaxar sulfate (English)