CAS No.61849-14-7,Prostacyclin sodium salt Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	61849-14-7
Name:	Prostacyclin sodium salt

Formula:	C₂₀H₃₁O₅^.Na
Molecular Weight:	374.4469
Synonyms:	U 53,217A;Epoprostenol sodium;Epoprostenol sodium [USAN:BAN];sodium (5Z)-5-[(1S,3R,4S,5R)-3-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-8-oxabicyclo[3.3.0]oct-7-ylidene]pentanoate;sodium 5-[(1S,3R,4S,5R)-3-hydroxy-4-[(3S)-3-hydroxyoct-1-enyl]-8-oxabicyclo[3.3.0]oct-7-ylidene]pentanoate;Flolan;Epoprostenol sodium (JAN/USAN);Prosta-5,13-dien-1-oic acid,6,9-epoxy-11,15-dihydroxy-,monosodium salt,(5Z,9R,11R,13E,15S)-;Sodium (Z)-(3aR,4R,5R,6aS)-hexahydro-5-hydroxy-4-((E)-(3S)-3-hydroxy-1-octenyl)-2H-cyclopenta(b)furan-delta(sup 2,delta)-valerate;Epoprosterol sodium;5-[(1S,3R,4S,5S)-3-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-8-oxabicyclo[3.3.0]oct-7-ylidene]pentanoate;Cyclo-Prostin;Sodium (5Z,13E,15S)-6,9alpha-epoxy-11alpha,15-dihydroxyprosta-5,13-dien-1-oate;Prosta-5,13-dien-1-oic acid, 6,9-epoxy-11,15-dihydroxy-, sodium salt, (5Z,9alpha,11alpha,13E,15S)-;Flolan (TN);
EINECS:	263-273-7
Melting Point:	168-170 °C
Boiling Point:	530.2 °C at 760 mmHg
Flash Point:	182.1 °C
Solubility:	H₂O: 1 mg/mL Hydrolyzes to 6-ketoprostaglandin F_1αin aqueous solution
Appearance:	white crystalline powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22
Safety:	22-26-36
PSA:	89.82000
LogP:	2.07380

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Specification

The Prostacyclin sodium salt, with the CAS registry number 61849-14-7 and EINECS registry number 234-237-8, has the systematic name of sodium (5Z,9α,11α,13E,15S)-11,15-dihydroxy-6,9-epoxyprosta-5,13-dien-1-oate. It is a kind of white crystalline powder. And the molecular formula of the chemical is C₂₀H₃₁O₅^.Na.

The characteristics of Prostacyclin sodium salt are as followings: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): -0.58; (5)ACD/BCF (pH 5.5): 3.07; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44.16; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 64.99 Å²; (13)Flash Point: 182.1 °C; (14)Enthalpy of Vaporization: 92.66 kJ/mol; (15)Boiling Point: 530.2 °C at 760 mmHg; (16)Vapour Pressure: 1.86E-13 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing; Do not breathe dust; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[O-]C(=O)CCC/C=C1\O[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H]2C1
(2)InChI: InChI=1/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/q;+1/p-1/b11-10+,15-8-;/t14-,16+,17+,18+,19-;/m0./s1
(3)InChIKey: LMHIPJMTZHDKEW-TZBXGZQCBN