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| CAS No.: | 209860-87-7 |
|---|---|
| Name: | Tafluprost |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C25H34F2O5 |
| Molecular Weight: | 452.539 |
| Synonyms: | 5-Heptenoicacid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-butenyl]-3,5-dihydroxycyclopentyl]-,1-methylethyl ester, (5Z)- (9CI);AFP 168;5-Heptenoic acid,7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-,1-methylethyl ester, (5Z)-;MK-2452; |
| Density: | 1.186 g/cm3 |
| Boiling Point: | 552.9ºC at 760mmHg |
| Flash Point: | 288.2°C |
| PSA: | 75.99000 |
| LogP: | 4.68300 |
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Specification
Tafluprost, with the IUPAC Name of Propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-3-phenylmethoxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate, is one kind of analogue. Tafluprost(CAS NO.209860-87-7) is a prostaglandin analogue used topically (as eye drops) to control the progression of glaucoma and in the management of ocular hypertension.
Physical properties about Tafluprost are: (1)ACD/LogP: 3.829; (2)ACD/LogD (pH 5.5): 3.83; (3)ACD/LogD (pH 7.4): 3.83; (4)ACD/BCF (pH 5.5): 478.85; (5)ACD/BCF (pH 7.4): 478.85; (6)ACD/KOC (pH 5.5): 2884.63; (7)ACD/KOC (pH 7.4): 2884.63; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 15; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 121.342 cm3; (13)Molar Volume: 381.518 cm3; (14)Polarizability: 48.104 10-24cm3; (15)Surface Tension: 40.7639999389648 dyne/cm; (16)Density: 1.186 g/cm3; (17)Flash Point: 288.21 °C ; (18)Enthalpy of Vaporization: 87.722 kJ/mol; (19)Boiling Point: 552.943 °C at 760 mmHg
You could convert the following datas into the molecular structure:
(1)InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1;
(2)InChIKey=WSNODXPBBALQOF-VEJSHDCNSA-N