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- (55028-72-3)

The Cloprostenol sodium with the CAS number 55028-72-3 is also called 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-. The systematic name 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. Its molecular formula is C₂₂H₂₈ClNaO₆. The EINECS registry number is 259-439-3. This chemical belongs to the following product categories: (1)Pharmaceutical Raw Materials; (2)Prostaglandins; (3)Chiral Reagents; (4)Intermediates & Fine Chemicals; (5)Pharmaceuticals.

The properties of the 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.

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).

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