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Name |
Fluprostenol |
EINECS | 255-029-3 |
CAS No. | 40666-16-8 | Density | 1.335 |
PSA | 107.22000 | LogP | 3.56040 |
Solubility | N/A | Melting Point |
N/A |
Formula | C23H29 F3 O6 | Boiling Point | 608 °C at 760 mmHg |
Molecular Weight | 458.475 | Flash Point | 321.5 °C |
Transport Information | UN 1170 | Appearance | colorless oilly liquid |
Safety | 7-16 | Risk Codes | R11 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
5-Heptenoicacid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-,(5Z)-rel- (9CI); 5-Heptenoic acid,7-[3,5-dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-,[1a(Z),2b(1E,3R*),3a,5a]-(?à)-; (?à)-Fluprostenol; 5-Heptenoic acid,7-[3,5-dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-,[1a(Z),2b(1E,3R*),3a,5a]-; Fluoprostenol; Fluprostenol |
Article Data | 2 |
Molecule structure of Fluprostenol (CAS NO.40666-16-8):
IUPAC Name: 7-[3,5-Dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular Weight: 458.46797 [g/mol]
Molecular Formula: C23H29F3O6
Index of Refraction: 1.575
Molar Refractivity: 113.45 cm3
Molar Volume: 343.2 cm3
Surface Tension: 47.6 dyne/cm
Density: 1.335 g/cm3
Flash Point: 321.5 °C
Enthalpy of Vaporization: 94.99 kJ/mol
Boiling Point: 608 °C at 760 mmHg
Vapour Pressure: 1.24E-15 mmHg at 25 °C
Storage Temp.: −20 °C
XLogP3: 2.9
H-Bond Donor: 4
H-Bond Acceptor: 9
Rotatable Bond Count: 11
Exact Mass: 458.191623
MonoIsotopic Mass: 458.191623
Topological Polar Surface Area: 107
Heavy Atom Count: 32
Canonical SMILES: C1C(C(C(C1O)C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)CC=CCCCC(=O)O)O
InChI: InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)
InChIKey: WWSWYXNVCBLWNZ-UHFFFAOYSA-N
EINECS: 255-029-3
Classification Code of Fluprostenol (CAS NO.40666-16-8): Contraceptive Agents; Contraceptive Agents, Female; Luteolytic agents; Reproductive Control Agents
Hazard Codes: F
Risk Statements: 11
R11:Highly flammable.
Safety Statements: 7-16
S7:Keep container tightly closed.
S16:Keep away from sources of ignition.
RIDADR: UN 1170 3/PG 2
WGK Germany: 1
Fluprostenol (CAS NO.40666-16-8) is also named as Fluprostenolum ; Fluprostenolum [INN-Latin] ; ICI 81,008 ; UNII-358S7VUE5N ; (5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl}cyclopentyl]hept-5-enoic acid ; 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-, (5Z)- ; Equimate .