IFETROBAN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H32N2O5
Molecular Weight	440.532
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IFETROBAN

Structure Search

SMILES

CCCCCNC(=O)C1=COC(=N1)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2CC4=C(CCC(O)=O)C=CC=C4

InChI

InChIKey=BBPRUNPUJIUXSE-DXKRWKNPSA-N

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

HIDE SMILES / InChI

Molecular Formula	C25H32N2O5
Molecular Weight	440.532
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:15:35 UTC 2023` Edited by `admin` on `Fri Dec 15 17:15:35 UTC 2023`
Record UNII	E833KT807K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IFETROBAN

Official Name

English

IFETROBAN [USAN]

Common Name

English

ifetroban [INN]

Common Name

English

O-[[1S,2R,3S,4R)-3-[4-(Pentylcarbamoyl)-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]hydrocinnamic acid

Common Name

English

BENZENEPROPANOIC ACID, 2-((3-(4-((PENTYLAMINO)CARBONYL)-2-OXAZOLYL)-7-OXABICYCLO(2.2.1)HEPT-2-YL)METHYL)-, (1S-(EXO,EXO))-

Common Name

English

BMS-180291

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1327

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

Code System Code Type Description

CAS

143443-90-7

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

PRIMARY

ChEMBL

CHEMBL3301673

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

PRIMARY

INN

7252

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

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WIKIPEDIA

IFETROBAN

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

PRIMARY

FDA UNII

E833KT807K

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

PRIMARY

EVMPD

SUB08124MIG

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

PRIMARY

EPA CompTox

DTXSID40869931

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

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USAN

EE-71

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

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SMS_ID

100000083700

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

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PUBCHEM

3037233

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

PRIMARY

NCI_THESAURUS

C81570

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

PRIMARY

DRUG BANK

DB12321

Created by admin on Fri Dec 15 17:15:35 UTC 2023 , Edited by admin on Fri Dec 15 17:15:35 UTC 2023

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Related Record Type Details


					XX7VY52OOD

THROMBOXANE A2 RECEPTOR

TARGET -> INHIBITOR

Amount:


					48IJA0E92C

IFETROBAN SODIUM

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					E833KT807K

IFETROBAN

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC				ORAL ADMINISTRATION

Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION

Volume of Distribution	PHARMACOKINETIC