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| CAS No.: | 55028-72-3 |
|---|---|
| Name: | Cloprostenol sodium |
| Molecular Structure: | |
|
|
|
| Formula: | C22H28ClNaO6 |
| Molecular Weight: | 446.90 |
| Synonyms: | 5-Heptenoicacid,7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-,monosodium salt, (5Z)-rel- (9CI);5-Heptenoic acid,7-[2-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-,monosodium salt, [1a(Z),2b(1E,3R*),3a,5a]-(?à)-;5-Heptenoic acid,7-[2-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-,monosodium salt, [1a(Z),2b(1E,3R*),3a,5a]-;Ciosin;Cloprostenol sodium salt;Estrumat;Estrumate;ICI 80996;Planate;5-Heptenoic acid,7-[(1R,2R,3R,5S)-2-[(1E,3S)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-,sodium salt (1:1), (5Z)-rel-; |
| EINECS: | 259-439-3 |
| Melting Point: | 68-70 °C |
| Boiling Point: | 628 °C at 760 mmHg |
| Flash Point: | 333.6 °C |
| Solubility: | >10 mg/mL in water |
| Appearance: | white to almost white, hygroscopic powder |
| Hazard Symbols: |
 T
|
| Risk Codes: | 60-22-36/37/38 |
| Safety: | 53-26-36/37/39-45 |
| PSA: | 110.05000 |
| LogP: | 1.86030 |
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Specification
1. Introduction of Cloprostenol sodium
Cloprostenol sodium is one kind of white to almost white, hygroscopic powder. Its solubility is H2O: >10 mg/mL. The systematic name of this chemical is sodium (5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl}hept-5-enoate. This chemical belongs to the following product categories: (1)Pharmaceutical Raw Materials; (2)Prostaglandins; (3)Chiral Reagents; (4)Intermediates & Fine Chemicals; (5)Pharmaceuticals. Its Classification Code is Prostaglandin.
2. Properties of Cloprostenol sodium
Physical properties about Cloprostenol sodium are:
(1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 5.2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 66.57; (8)ACD/KOC (pH 7.4): 1.06; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 74.22 Å2; (13)Enthalpy of Vaporization: 97.68 kJ/mol; (14)Vapour Pressure: 1.23×10-16 mmHg at 25°C.
3. Structure Descriptors of Cloprostenol sodium
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].Clc2cccc(OC[C@H](O)/C=C/[C@@H]1[C@H]([C@@H](O)C[C@H]1O)C\C=C/CCCC([O-])=O)c2
(2)InChI: InChI=1/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19-,20+,21-;/m1./s1
(3)InChIKey: IFEJLMHZNQJGQU-JSUXKNBKBD
4. Safety Information of Cloprostenol sodium
Hazard Codes: .gif){kind=small}
T
Risk Statements: 60-22-36/37/38
60: May impair fertility.
22: Harmful if swallowed.
36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 53-26-36/37/39-45
53: Avoid exposure - obtain special instruction before use.
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
WGK Germany: 3
While using this chemical, you should be very cautious. This chemical is harmful if swallowed and may impair fertility. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Secondly you should avoid this chemical exposure - obtain special instructions before use. Thirdly in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).
5. Biological Activity of Cloprostenol sodium
Water-soluble prostaglandin F 2 α (PGF 2 α ) analog; acts as a potent FP receptor agonist (EC 50 = 0.84 nM). Potently inhibits differentiation of adipocyte precursor cells. Luteolytic agent in vivo.
6. Uses of Cloprostenol sodium
Cloprostenol sodium can be used as Aryl-oxymethyl analog of prostaglandin F2a. Cloprostenol Sodium is a medicine available in a number of countries worldwide. Cloprostenol sodium is 2- to 3-fold more potent than fluprostenol but less selective and similar in potency to PGF2α at EP and TP prostanoid receptors. It is used for the treatment of infertility in sows and gilts.
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