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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5284442Generated: October 26, 2026

Isbogrel

CV-4151 · ISBOGREL · ISBOGREL USP/EP/BP · (E)-7-Phenyl-7-(3-pyridinyl)-6-heptenoic acid · (E)-7-Phenyl-7-(pyridin-3-yl)hept-6-enoic acid · 6-Heptenoic acid, 7-phenyl-7-(3-pyridinyl)-, (6E)-

https://huagongshe.com/en/chemical/5284442

Isbogrel molecular structure

Identifiers & Physical Properties

CAS No.89667-40-3
Molecular formulaC18H19NO2
Average molar mass281.3 g/mol
Monoisotopic mass281.14157885 g/mol
SMILESO=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1
InChIKeyUWPBQLKEHGGKKD-GZTJUZNOSA-N
PubChem CID5284442
ChEMBLCHEMBL26820
EC No.887-203-5
DTXSIDDTXSID4021133

Chemical & Physical Properties

XLogP4
Topological polar surface area50.2
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds7
Heavy atoms21
Formal charge0
Complexity345
Melting point114-115°
Storage conditions2-8°C
FDA UNIIHGB7P08R36
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH315-H319
GHS precautionary statementsP264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & Regulations

GHS classificationWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH315-H319
GHS precautionary statementsP264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Applications & Uses

Uses

Isbogrel is used as Thromboxane A2 inhibitor and for the treatment of short-term myocardial ischemia.