- Name
- irbesartan
- InChI
- InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
- InChI Key
- YOSHYTLCDANDAN-UHFFFAOYSA-N
- Formula
- C25H28N6O
- SMILES
-
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc
(-c2ccccc2-c2nn[nH]n2)cc1 - Mol. Weight (g/mol)
- 428.54
- Name
- 1,4-Dioxane
- InChI
- InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
- InChI Key
- RYHBNJHYFVUHQT-UHFFFAOYSA-N
- Formula
- C4H8O2
- SMILES
- C1COCCO1
- Mol. Weight (g/mol)
- 88.11
- CAS
- 123-91-1
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Datasets
Mole fraction of irbesartan (1) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Temperature, K - Liquid | Mole fraction of irbesartan (1) - Liquid |
|---|---|
| 287.90 | 0.0005 |
| 293.45 | 0.0006 |
| 298.00 | 0.0008 |
| 303.65 | 0.0011 |
| 308.20 | 0.0014 |
| 312.90 | 0.0018 |
| 318.05 | 0.0023 |
| 322.85 | 0.0028 |