Lasofoxifene beta-D-Glucuronide
Basic information
- CAS
1048953-95-2- Standard SMILES
O=C(O)[C@H]1O[C@@H](Oc2ccc3c(c2)CC[C@H](c2ccccc2)[C@@H]3c2ccc(OCCN3CCCC3)cc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
WBWCSRRUQKSEDJ-WIYFCYHXSA-N- Molecular formula
- C34H39NO8
- Average molar mass
- 589.7 g/mol
- Monoisotopic mass
- 589.2675672
Names & identifiers
- Preferred name
- Lasofoxifene beta-D-Glucuronide
- IUPAC
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]oxane-2-carboxylic acid
- English name
- Lasofoxifene -D-Glucuronide
- Molecular formula
- C34H39NO8
- Molecular weight
- 589.68
Names & synonyms
Lasofoxifene beta-D-GlucuronideLasofoxifene metabolite M7GY8G45GVI41048953-95-2UNII-GY8G45GVI4Lasofoxifene ?-D-GlucuronideLasofoxifene glucuronide(5R,6S)-5,6,7,8-Tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthalen beta-D-glucopyranosiduronic acidbeta-D-Glucopyranosiduronic acid, (5R,6S)-5,6,7,8-tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthalen(5R,6S)-5,6,7,8-TETRAHYDRO-6-PHENYL-5-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-2-NAPHTHALEN .BETA.-D-GLUCOPYRANOSIDURONIC ACID.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (5R,6S)-5,6,7,8-TETRAHYDRO-6-PHENYL-5-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-2-NAPHTHALENLasofoxifene Impurity1
Show more names
Lasofoxifene -D-GlucuronideLasofoxifene β-D-Glucuronide(5R,6S)-5,6,7,8-Tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-naphthalen-D-Glucopyranosiduronic Acidβ-D-Glucopyranosiduronic acid, (5R,6S)-5,6,7,8-tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-naphthalen(3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]oxane-2-carboxylic acid
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 886
Physicochemical properties
- Boiling point
- 787.6 · 787.6±60.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- pka
- 2.8 · 2.80±0.70(Predicted)
- FDA UNII
- 8 G45GVI4 · GY8G45GVI4
Chemistry & industry
Applications
UsesA metabolite of Lasofoxifene (L176500) in humans.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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