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Midazolam maleate salt (59467-94-6)

Identification
Name:Midazolam maleate salt
Synonyms:Midazolam maleate;4H-Imidazo[1,5-a][1,4]benzodiazepine,8- chloro-6-(2-fluorophenyl)-1-methyl-,(2Z)- 2-butenedioate (1:1);Ro 21-3981;4H-Imidazo[1,5-a][1,4]benzodiazepine, 8-chloro-6- (2-fluorophenyl)-1-methyl-, (Z)-2-butenedioate (1:1);
CAS:59467-94-6
EINECS: 261-775-0
Molecular Formula: C18H13ClFN3.C4H4O4
Molecular Weight: 441.84
InChI: InChI=1/C18H13ClFN3.C4H4O4/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;5-3(6)1-2-4(7)8/h2-9H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Molecular Structure: (C18H13ClFN3.C4H4O4) Midazolam maleate;4H-Imidazo[1,5-a][1,4]benzodiazepine,8- chloro-6-(2-fluorophenyl)-1-methyl-,(2Z)- ...
Properties
Transport:3249
Solubility:The aqueous solubility of midazolam hydrochloride pH dependent; the drug has solubilities of approximately 0.24, 1.09, 3.67, 10.3 or greater than 22 mg (of midazolam) per ml in water at pH 6.2, 5.1, 3.8, 3.4, or 2.8 respectively, at 25 deg C.
Midazolam hydrochloride is water soluble. [Khanderia U, Pandit SK; Clin Pharm 6 (7): 533-47 (1987)] PubMed Abstract
Specification:

The CAS register number of Midazolam maleate salt is 59467-94-6. It also can be called as 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine maleate and the IUPAC name about this chemical is (Z)-but-2-enedioic acid; 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine. Classification Code about this chemical are Anesthetic [intravenous] and Drug / Therapeutic Agent. This chemical is harmful if swallowed. When you are using it, wear suitable protective clothing.

Physical properties about Midazolam maleate salt are: (1)ACD/LogP: 3.93; (2)#H bond acceptors: 3 ; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 30.18Å2; (5)Flash Point: 254.3 °C; (6)Enthalpy of Vaporization: 76.47 kJ/mol; (7)Boiling Point: 496.9 °C at 760 mmHg; (8)Vapour Pressure: 5.21E-10 mmHg at 25°C.

Midazolam maleate salt is a short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C/C(=O)O.Fc4ccccc4C/1=N/Cc3cnc(n3c2c\1cc(Cl)cc2)C
(2)InChI: InChI=1/C18H13ClFN3.C4H4O4/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;5-3(6)1-2-4(7)8/h2-9H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
(3)InChIKey: XYGVIBXOJOOCFR-BTJKTKAUBD
(4)Std. InChI: InChI=1S/C18H13ClFN3.C4H4O4/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;5-3(6)1-2-4(7)8/h2-9H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
(5)Std. InChIKey: XYGVIBXOJOOCFR-BTJKTKAUSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 86mg/kg (86mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 2180, 1981.
mouse LD50 oral 760mg/kg (760mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 2180, 1981.
 

Packinggroup: III
Storage Temperature: 2-8°C
Color: White to light yellow, crystalline powder.
Safety Data
Hazard Symbols Xn: Harmful