CAS No.157283-68-6,Travoprost Suppliers

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Basic Information

Molecular Structure:
CAS No.:	157283-68-6
Name:	Travoprost

Formula:	C₂₆H₃₅F₃O₆
Molecular Weight:	500.55
Synonyms:	5-Heptenoicacid,7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-,1-methylethyl ester, (5Z)- (9CI);5-Heptenoic acid,7-[3,5-dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-,1-methylethyl ester, [1R-[1a(Z),2b(1E,3R*),3a,5a]]-;AL 6221;Travatan;
EINECS:	682-028-9
Density:	1.245 g/cm³
Boiling Point:	584.8 °C at 760 mmHg
Flash Point:	307.5 °C
Appearance:	colorless oil
Hazard Symbols:	F,Xi
Risk Codes:	11-36/37/38
Safety:	16-26-36
Transport Information:	UN 1170 3/PG 2
PSA:	96.22000
LogP:	4.42740

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Chemistry

IUPAC Name: Propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-[3(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
Molecular Formula: C₂₆H₃₅F₃O₆
Molecular Weight: 500.5477 g/mol
The Molecular Structure of Travoprost (CAS NO.157283-68-6):

Index of Refraction: 1.547
Molar Refractivity: 127.52 cm³
Molar Volume: 401.9 cm³
Surface Tension: 41.6 dyne/cm
Density: 1.245 g/cm³
Flash Point: 307.5 °C
Enthalpy of Vaporization: 91.91 kJ/mol
Boiling Point: 584.8 °C at 760 mmHg
Vapour Pressure: 1.61E-14 mmHg at 25 °C
Storage Temp. −20 °C
XLogP3-AA: 4.1
H-Bond Donor: 3
H-Bond Acceptor: 9
Rotatable Bond Count: 13
Exact Mass: 500.238573
MonoIsotopic Mass: 500.238573
Topological Polar Surface Area: 96.2
Heavy Atom Count: 35
Canonical SMILES: CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O
Isomeric SMILES: CC(C)OC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC=C2)C(F)(F)F)O)O)O
InChI: InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3+,13-12+/t19-,21-,22-,23+,24-/m1/s1
InChIKey: MKPLKVHSHYCHOC-JPVYXPJZSA-N
Product Categories: Prostaglandins;Chiral Reagents;Intermediates & Fine Chemicals;Pharmaceuticals

Uses

Travoprost (CAS NO.157283-68-6) can be used for controlling the progression of glaucoma or ocular hypertension, by reducing intraocular pressure.

Safety Profile

Hazard Codes: F, Irritant Xi
Risk Statements: 11-36/37/38
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 1170 3/PG 2
WGK Germany: 1

Specification

Travoprost (CAS NO.157283-68-6) is also named as (((1R)-(1alpha(Z),2beta(1E,3R*),3alpha,5alpha))-7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-5-heptenoic acid, 1-methylethyl ester ; (1R-(1alpha(Z),2beta(1E,3R*),3alpha,5alpha))-7-(3,5-Dihydroxy-2-(3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-5-heptenoic acid, 1-methylethyl ester ; (Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3R)-3-hydroxy-4-((alpha,alpha,alpha-trifluoro-m-isopropyl-tolyl)oxy)-1-butenyl)cyclopentyl)-5-heptenoate ; 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-, 1-methylethyl ester, (1R-(1alpha(Z),2beta(1E,3R*),3alpha,5alpha))- ; AL-6221 ; AL6221 ; Travatan ; Travatan Z ; UNII-WJ68R08KX9 . Travoprost (CAS NO.157283-68-6) is colorless oil.