Basic information
- CAS
175385-62-3- Standard SMILES
COCCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OC)c(OC)c1OC)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C- InChIKey
BEUUJDAEPJZWHM-COROXYKFSA-N- Molecular formula
- C35H53N3O9
- Average molar mass
- 659.8 g/mol
- Monoisotopic mass
- 659.37818028
Overview
Lasinavir is a small molecule drug. The usage of the INN stem '-vir' in the name indicates that Lasinavir is a antiviral. Lasinavir has a monoisotopic molecular weight of 659.38 Da.
Names & identifiers
- Preferred name
- Lasinavir
- IUPAC
- tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]hexan-2-yl]carbamate
- English name
- Lasinavir
- Molecular formula
- C35H53N3O9
- Molecular weight
- 659.81
Names & synonyms
Lasinavir175385-62-3Lasinavir [INN]BMS-234475UNII-0QGV8237I30QGV8237I3tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]hexan-2-yl]carbamateLASINAVIR [WHO-DD]14-OXA-2,8,11-TRIAZAPENTADECANOIC ACID, 4-HYDROXY-9-(1-METHYLETHYL)-7,10-DIOXO-3-(PHENYLMETHYL)-6-((2,3,4-TRIMETHOXYPHENYL)METHYL)-, 1,1-DIMETHYLETHYL ESTER, (3S,4S,6R,9S)-TERT-BUTYL ((.ALPHA.S)-.ALPHA.-((1S,3R)-1-HYDROXY-3-(((1S)-1-((2-METHOXYETHYL)CARBAMOYL)-2-METHYLPROPYL)CARBAMOYL)-4-(2,3,4-TRIMETHOXYPHENYL)BUTYL)PHENETHYL)CARBAMATEtert-Butyl ((alphaS)-alpha-((1S,3R)-1-hydroxy-3-(((1S)-1-((2-methoxyethyl)carbamoyl)-2-methylpropyl)carbamoyl)-4-(2,3,4-trimethoxyphenyl)butyl)phenethyl)carbamatelasinavirum
Show more names
CGP61755
tert-butyl N-((2S,3S,5R)-3-hydroxy-6-(((2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl)amino)-6-oxo-1-phenyl-5-((2,3,4-trimethoxyphenyl)methyl)hexan-2-yl)carbamateRefChem:152402CGP-61755CGP 61755SCHEMBL6189Lasinavir, >98% (HPLC)orb1696608CHEMBL2104331
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 20
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 938
Physicochemical properties
- Boiling point
- 857.378 · 857.378±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.134 · 1.134±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.075 · 12.075±0.46(predicted)
- FDA UNII
- 0 QGV8237I3 · 0QGV8237I3
Chemistry & industry
Suppliers2 total
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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