Synonyms: | 2-Naphthalenol,5,6,7,8-tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (5R-cis)-;Lasofoxifene;(5R,6S)-5,6,7,8-Tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthalenol; |
InChI: | InChI=1/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1 |
Specification: |
The CAS register number of Lasofoxifene is 180916-16-9. It also can be called as (5R,6S)-5,6,7,8-Tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthalenol and the IUPAC name about this chemical is (5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol. The molecular formula about this chemical is C28H31NO2 and the molecular weight is 413.55. It belongs to the following product categories, such as Aromatics; Chiral Reagents; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals and so on. This chemical can be used as a next-generation selective estrogen receptor modulator for treating disorders associated with increased bone turnover and osteopenia.
Physical properties about Lasofoxifene are: (1)ACD/LogP: 6.51; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 21.7Å2; (7)Index of Refraction: 1.613; (8)Molar Refractivity: 125.14 cm3; (9)Molar Volume: 359.3 cm3; (10)Polarizability: 49.61x10-24cm3; (11)Surface Tension: 48.2 dyne/cm; (12)Enthalpy of Vaporization: 89 kJ/mol; (13)Boiling Point: 572.4 °C at 760 mmHg; (14)Vapour Pressure: 1.05E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)[C@@H]4c2ccc(O)cc2CC[C@@H]4c3ccccc3)CCN5CCCC5
(2)InChI: InChI=1/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1
(3)InChIKey: GXESHMAMLJKROZ-IAPPQJPRBB
(4)Std. InChI: InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1
(5)Std. InChIKey: GXESHMAMLJKROZ-IAPPQJPRSA-N
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