[2-butyl-4-chloro-1-({4-[2-(1-potassio-1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazol-5-yl]methanol

• ChemBase ID: 157166
• Molecular Formular: C22H22ClKN6O
• Molecular Mass: 461.00098
• Monoisotopic Mass: 460.11806871
• SMILES: CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnnn1[K])CO)Cl
• Canonical SMILES: CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnnn1[K])CO)Cl
• InChI: InChI=1S/C22H22ClN6O.K/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22;/h4-7,9-12,30H,2-3,8,13-14H2,1H3;/q-1;+1
• InChIKey: OXCMYAYHXIHQOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-butyl-4-chloro-1-({4-[2-(1-potassio-1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazol-5-yl]methanol
• IUPAC Traditional name: [2-butyl-5-chloro-3-({4-[2-(1-potassio-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)imidazol-4-yl]methanol
• Synonyms: 2-Butyl-4-chloro-1-{[2′-(1H-tetrazol-5-yl)(1,1′-biphenyl)-4-yl]methyl}-1H-imidazole-5-methanol monopotassium salt; Losartan potassium; 2-丁基-4-氯-1-{[2′-(1H-四唑-5-基)(1,1′-联苯)-4-基]甲基}-1H-咪唑-5-甲醇 单钾盐; 洛沙坦钾

Database IDs

• CAS Number: 124750-99-8
• MDL Number: MFCD02092704
• Beilstein Number: 5845770
• PubChem SID: 162251303
• PubChem CID: 11751549

CALCULATED PROPERTIES

• Acid pKa: 14.273295
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.7071424
• LogD (pH = 7.4): 2.7245731
• Log P: 2.7248
• Molar Refractivity: 141.3689 cm^3
• Polarizability: 48.634964 Å^3
• Polar Surface Area: 81.65 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.5% (HPLC)
• Grade: analytical standard
• Impurities: ≤0.5% water
• Empirical Formula (Hill Notation): C22H22ClKN6O

DETAILS

Sigma Aldrich - 61188

Frequently Asked Questions
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