Isopropyl unoprostone supplier

Name
Isopropyl unoprostone
EINECS 1312995-182-4
CAS No. 120373-24-2
Density 1.019 g/cm³
Solubility
Melting Point
Formula C₂₅H₄₄O₅
Boiling Point 546.3 °C at 760 mmHg
Molecular Weight 424.69
Flash Point 172.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 13,14-Dihydro-15-keto-20-ethyl-PG F2a isopropyl ester;13,14-Dihydro-15-keto-20-ethyl-PGF2;Rescula;UF 021;Unoprostone isopropyl ester;5-Heptenoicacid, 7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-, 1-methylethyl ester, [1R-[1a(Z),2b,3a,5a]]-;1-methylethyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate;5-Heptenoic acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl)-, 1-methylethyl ester, (5Z)-;propan-2-yl-(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate;
PSA 83.83000
LogP 5.12230

Isopropyl unoprostone Specification

The Isopropyl unoprostone, with the CAS registry number 120373-24-2, has the systematic name of propan-2-yl-(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate. It belogns to the following product categories: Prostaglandins; Prostaglandin; Intermediates & Fine Chemicals; Pharmaceuticals. And the molecular formula of this chemical is C₂₅H₄₄O₅. What's more, it is used in treatment of ocular hypertension.

The physical properties of Isopropyl unoprostone are as following: (1)ACD/LogP: 4.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.63; (4)ACD/LogD (pH 7.4): 4.63; (5)ACD/BCF (pH 5.5): 1936.98; (6)ACD/BCF (pH 7.4): 1936.98; (7)ACD/KOC (pH 5.5): 7843.71; (8)ACD/KOC (pH 7.4): 7843.71; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 120.83 cm³; (15)Molar Volume: 416.5 cm³; (16)Polarizability: 47.9×10^-24cm³; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.019 g/cm³; (19)Flash Point: 172.2 °C; (20)Enthalpy of Vaporization: 94.89 kJ/mol; (21)Boiling Point: 546.3 °C at 760 mmHg; (22)Vapour Pressure: 3.27E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)C)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(=O)CCCCCCC
(2)InChI: InChI=1/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8-/t21-,22-,23+,24-/m1/s1
(3)InChIKey: XXUPXHKCPIKWLR-JHUOEJJVBV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	intravenous	> 40mg/kg (40mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 36, Pg. 3348, 1994.
rat	LD50	intravenous	93500ug/kg (93.5mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BLOOD: HEMORRHAGE	Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 36, Pg. 3348, 1994.
rat	LD50	subcutaneous	1gm/kg (1000mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BLOOD: HEMORRHAGE	Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 36, Pg. 3348, 1994.

Product Name

Isopropyl unoprostone

Isopropyl unoprostone Specification

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