
IUPAC name
2-butyl-3-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILES
CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
Compound class
Antihypertensive Agents; Angiotensin II Type 1 Receptor Blockers; Angiotensin Receptor Antagonists; Cardiovascular System; Angiotensin II Antagonists, Plain; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Diuretics; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Angiotensin II Receptor Antagonists;
Therapeutic area
For the treatment of hypertension, as well as diabetic nephropathy with an elevated serum creatinine and proteinuria (>300 mg/day) in patients with type 2 diabetes and hypertension. Irbesartan is also used as a second line agent in the treatment of congestive heart failure.
Common name
Irbesartan
IUPAC name
2-butyl-3-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILES
CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
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)
FORMULA
C25H28N6O

Common name
Irbesartan
IUPAC name
2-butyl-3-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1,3-diazaspiro[4.4]non-1-en-4-one
Molecular weight
428.529
clogP
5.543
clogS
-7.402
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
87.13
Number of Rings
5
Rotatable Bond
7
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00005 | benzene |
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c1ccccc1 | 0.2824 |
FDBF00007 | propane |
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C(C)C | 0.2412 |
FDBF00023 | toluene |
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c1(ccccc1)C | 0.1268 |
FDBF00067 | butane |
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CCCC | 0.0680 |
FDBF00188 | tetrazole |
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[nH]1nnnc1 | 0.0055 |
FDBF02294 | 2-methyl-2,4-diazaspiro[4.4]non-3-en-1-one |
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CN1C(=O)C2(N=C1)CCCC2 | 0.0003 |
FDBF02295 | 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one |
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CC1=NC2(C(=O)N1)CCCC2 | 0.0003 |
FDBF02297 | 2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one |
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C(C1=NC2(C(=O)N1)CCCC2)C | 0.0003 |
FDBF02298 | 2-ethyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one |
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C(C1=NC2(C(=O)N1C)CCCC2)C | 0.0003 |
FDBF02299 | 1,3-diazaspiro[4.4]non-1-en-4-one |
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O=C1NC=NC12CCCC2 | 0.0003 |