2-Butyl-3-((2'-(2-trityl-2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1,3-diazaspiro[4.4]non-1-en-4-one
Basic information
- CAS
138402-10-5- Standard SMILES
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1- InChIKey
NDTNRUYCXAKMPU-UHFFFAOYSA-N- Molecular formula
- C44H42N6O
- Average molar mass
- 670.8 g/mol
- Monoisotopic mass
- 670.34200998
Names & identifiers
- Preferred name
- 2-Butyl-3-((2'-(2-trityl-2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1,3-diazaspiro[4.4]non-1-en-4-one
- IUPAC
- 2-butyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
- English name
- N-Triphenylmethyl Irbesartan
- Molecular formula
- C44H42N6O
- Molecular weight
- 670.84
Names & synonyms
2-Butyl-3-((2'-(2-trityl-2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1,3-diazaspiro[4.4]non-1-en-4-one886999-35-5N-Triphenylmethyl IrbesartanIrbesartan N-Trityl ImpurityMFCD08460099Trityl Irbesartan2-Butyl-3-[[2'-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one2-butyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one2-butyl-3-({2'-[2-(triphenylmethyl)-2H-1,2,3,4-tetrazol-5-yl]-[1,1'-biphenyl]-4-yl}methyl)-1,3-diazaspiro[4.4]non-1-en-4-one1,3-Diazaspiro[4.4]non-1-en-4-one, 2-butyl-3-[[2'-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-; 2-Butyl-3-[[2'-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one2-Butyl-3-({2'-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)-1,3-diazaspiro[4.4]non-1-en-4-oneN2-Trityl irbesartan
Show more names
2-Butyl-3-[[2'-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,110
Physicochemical properties
- Boiling point
- 834.6 · 834.6±75.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.52 · 2.52±0.20(Predicted)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIrbesartan (I751000) derivative.
Upstream & downstream products
Upstream raw materials
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Compound notes
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