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CHEBI:755308 - ifetroban sodium

Default Structure
ChEBI IDCHEBI:755308
ChEBI Nameifetroban sodium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaNa.C25H31N2O5
Net Charge0
Average Mass462.522
Monoisotopic Mass462.21307
SMILESCCCCCNC(=O)c1coc([C@H]2[C@@H](Cc3ccccc3CCC(=O)[O-])[C@@H]3CC[C@H]2O3)n1.[Na+]
InChIInChI=1S/C25H32N2O5.Na/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);/q;+1/p-1/t18-,20-,21+,23-;/m0./s1
InChIKeyWOHSQDNIXPEQAE-QBKVZTCDSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antifibrotic agent  Any agent which acts to reduce fibrosis.
ChEBI Ontology
Outgoing Relation(s)
ifetroban sodium (CHEBI:755308) has role antifibrotic agent (CHEBI:233423)
ifetroban sodium (CHEBI:755308) has role antineoplastic agent (CHEBI:35610)
ifetroban sodium (CHEBI:755308) has role cardiovascular drug (CHEBI:35554)
ifetroban sodium (CHEBI:755308) is a benzenes (CHEBI:22712)
ifetroban sodium (CHEBI:755308) is a monocarboxylic acid (CHEBI:25384)
Synonyms  Source
BMS-180291-02ChEMBL
Ifetroban sodiumChEMBL