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Irbesartan

PubChem CID: 3749

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Compound Synonyms irbesartan, 138402-11-6, Avapro, Aprovel, Karvea, SR-47436, BMS-186295, Irbesartan BMS, Irbesartan-d3, Irbesartan Zentiva, SR 47436, Sarbevel, BMS 186295, Irbesartan teva, Irbesartan Krka, Irbesartan Winthrop, MFCD00864464, Irbesartan free base, NSC-758696, UNII-J0E2756Z7N, CHEBI:5959, DTXSID0023169, HSDB 8215, J0E2756Z7N, 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one, 1,3-Diazaspiro[4.4]non-1-en-4-one, 2-butyl-3-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, 3-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one, CHEMBL1513, 2-Butyl-3-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-1,3-diazaspiro(4.4)non-1-en-4-one, 2-butyl-3-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one, DTXCID903169, 1,3-Diazaspiro(4.4)non-1-en-4-one, 2-butyl-3-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, AVALIDE COMPONENT IRBESARTAN, Irbesartan [USAN:USP:INN:BAN], 138402-11-6 (free base), COAPROVEL COMPONENT IRBESARTAN, IFIRMACOMBI COMPONENT IRBESARTAN, NSC 758696, NCGC00095122-01, 1185120-76-6, IRBESARTAN (MART.), IRBESARTAN [MART.], IRBESARTAN (USP-RS), IRBESARTAN [USP-RS], IRBESARTAN (EP IMPURITY), IRBESARTAN [EP IMPURITY], IRBESARTAN (EP MONOGRAPH), IRBESARTAN (USP IMPURITY), IRBESARTAN [EP MONOGRAPH], IRBESARTAN [USP IMPURITY], IRBESARTAN (USP MONOGRAPH), IRBESARTAN [USP MONOGRAPH], Irbetan, Irbesartan (USAN:USP:INN:BAN), [3H]irbesartan, 3-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one, 2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one, SMR000466306, Avapro (TN), CAS-138402-11-6, irbesartanum, Irbesartan?, Irbesartan ,(S), 2-butyl-3-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1,3-diazaspiro(4.4)non-1-en-4-one, 2-butyl-3-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1,3-diazaspiro(4.4)non-1-en-4-one, 2-BUTYL-3-[[2'-(1H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-1,3-DIAZASPIRO[4.4]NON-1-EN-4-ONE, 3-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one, Irbesartan, 2-Butyl-3-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one, Irbesartan (Avapro), 8-butyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7,9-diazaspiro[4.4]non-8-en-6-one, 1242281-36-2, 2-(~2~H_9_)Butyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one, Irbesartan (Standard), Spectrum_001751, IRBESARTAN [MI], IRBESARTAN [INN], IRBESARTAN [JAN], Spectrum2_001675, Spectrum3_000994, Spectrum4_001122, Spectrum5_001288, IRBESARTAN [USAN], IRBESARTAN [VANDF], SCHEMBL4246, IRBESARTAN [WHO-DD], BSPBio_002687, GTPL589, KBioGR_001603, KBioSS_002231, 3-BUTYL-2-[[4-[2-(2H-TETRAZOL-5-YL)PHENYL]PHENYL]METHYL]-2,4-DIAZASPIRO[4.4]NON-3-EN-1-ONE, MLS000759408, MLS001424099, BIDD:GT0347, IRBESARTAN [EMA EPAR], SPECTRUM1504259, SPBio_001889, GTPL6908, Irbesartan (JP18/USP/INN), Irbesartan - Bio-X trade mark, IRBESARTAN [ORANGE BOOK], HY-B0202R, KBio2_002231, KBio2_004799, KBio2_007367, KBio3_001907, C09CA04, BCPP000202, GLXC-04552, HMS1922J05, HMS2051L08, HMS2093E16, HMS2232F23, HMS3370B06, HMS3393L08, HMS3715L04, Pharmakon1600-01504259, BCP02004, HY-B0202, Tox21_111433, AC-537, BDBM50042235, CCG-39091, NSC758696, STK645362, AKOS005576396, AKOS015895353, IRBESARTAN COMPONENT OF AVALIDE, Irbesartan, >=98% (HPLC), powder, Tox21_111433_1, AB07472, BCP9000792, CCG-101012, DB01029, FI24648, KS-1151, NC00262, 2-Butyl-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]1,3-diaza-spiro[4.4]non-1-en-4-one, IRBESARTAN COMPONENT OF COAPROVEL, IRBESARTAN COMPONENT OF KARVEZIDE, NCGC00095122-02, NCGC00095122-03, NCGC00095122-04, NCGC00095122-05, NCGC00095122-14, 2-BUTYL-3-[[2'-(2H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-1,3-DIAZASPIRO[4.4]NON-1-EN-4-ONE, BI164582, IRBESARTAN COMPONENT OF IFIRMACOMBI, SY051244, SBI-0206769.P001, I0859, NS00000387, S1507, SR-47436, BMS-186295, C07469, D00523, AB00639954-06, AB00639954_07, AB00639954_08, EN300-37158602, L000319, Q947266, SR-05000001997, SR-05000001997-1, BRD-K60038276-001-02-5, BRD-K60038276-001-03-3, BRD-K60038276-001-08-2, BRD-K60038276-001-09-0, IBERSARTAN/HYDROCHLOROTHIAZIDE COMPONENT IBERSARTAN, Irbesartan, European Pharmacopoeia (EP) Reference Standard, IBERSARTAN/HYDROCHLOROTHIAZIDE TEVA COMPONENT IBERSARTAN, Irbesartan, United States Pharmacopeia (USP) Reference Standard, IBERSARTAN/HYDROCHLOROTHIAZIDE ZENTIVA COMPONENT IBERSARTAN, Irbesartan, Pharmaceutical Secondary Standard, Certified Reference Material, 2-(n-butyl)-3-[[2'-(tetrazol-5-yl)biphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one, 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, 2-Butyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one, BMS-186295, SR-47436, 2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one, 2-butyl-3-{[2''-(1H-tetrazol-5-yl)[1,1''-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one, 2-butyl-3-{[2''-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one, 2-butyl-3-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one, 3-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)-methyl)-2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one, 3-[[2 inverted exclamation mark -(1H-Tetrazol-5-yl)-[1,1 inverted exclamation mark -biphenyl]-4-yl]methyl]-2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one
Topological Polar Surface Area 87.1
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 32.0
Isotope Atom Count 0.0
Molecular Complexity 682.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
Prediction Hob 1.0
Target Id NPT4358, NPT98, NPT247, NPT713, NPT1249, NPT1028, NPT748
Xlogp 4.1
Molecular Formula C25H28N6O
Prediction Swissadme 1.0
Inchi Key YOSHYTLCDANDAN-UHFFFAOYSA-N
Fcsp3 0.4
Logs -6.543
Rotatable Bond Count 7.0
Logd 4.324
Compound Name Irbesartan
Prediction Hob Swissadme 1.0
Exact Mass 428.232
Formal Charge 0.0
Monoisotopic Mass 428.232
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 428.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.042573000000001
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)
Smiles CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Rhus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients
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