Ifetroban (Q5991162)

canonical SMILES

CCCCCNC(=O)C1=COC(=N1)C2C3CCC(C2CC4=CC=CC=C4CCC(=O)O)O3

1 reference

BBPRUNPUJIUXSE-DXKRWKNPSA-N (no linguistic content)

14 February 2019

CCCCCNC(=O)C1=COC(=N1)[C@@H]2[C@H]3CC[C@@H]([C@@H]2CC4=CC=CC=C4CCC(=O)O)O3

1 reference

platelet aggregation inhibitors

BBPRUNPUJIUXSE-DXKRWKNPSA-N (no linguistic content)

14 February 2019

1 reference

InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1

Medical Subject Headings

15 March 2018

Ifetroban synthesis.png
2,333 × 1,424; 67 KB

0 references

Commons category

Ifetroban

0 references

Identifiers

InChI

1 reference

BBPRUNPUJIUXSE-DXKRWKNPSA-N (no linguistic content)

14 February 2019

1 reference

BBPRUNPUJIUXSE-DXKRWKNPSA-N (no linguistic content)

14 February 2019

1 reference

https://commonchemistry.cas.org/detail?cas_rn=143443-90-7

8 April 2021

ChemSpider ID

58452

1 reference

imported from Wikimedia project

2 references

BBPRUNPUJIUXSE-DXKRWKNPSA-N (no linguistic content)

retrieved

14 February 2019

PubChem CID

3037233

ChEBI ID

188730

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1

ChEMBL ID

CHEMBL3301673

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

8 February 2021

2 references

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID30820733

0 references

Guide to Pharmacology Ligand ID

1987

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

1 reference

Medical Subject Headings

14 March 2018

1 reference

UNII

E833KT807K

1 reference