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Midazolam

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Name

Midazolam

EINECS 261-774-5
CAS No. 59467-70-8 Density 1.35 g/cm3
PSA 104.78000 LogP 3.47160
Solubility insoluble in water Melting Point > 290ºC
Formula C18H13 Cl F N3 Boiling Point 496.9 °C at 760 mmHg
Molecular Weight 325.773 Flash Point 254.3 °C
Transport Information N/A Appearance white crystallized powder
Safety Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of F, Cl, and NOx. Risk Codes 11-23/24/25-39/23/24/25
Molecular Structure Molecular Structure of 59467-70-8 (Midazolam) Hazard Symbols F,T
Synonyms

Dormicum;Midanium;Midosed;Midazolamum [INN-Latin];DEA No. 2884;[15N]-Midazolam;Dazolam;Midazolamum;[14C]-Midazolam;Versed;

Article Data 20

Midazolam Specification

The Midazolam, with the CAS registry number 59467-70-8, is also known as 8-Chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals; Aromatics; Heterocycles. This chemical's molecular formula is C18H13ClFN3 and molecular weight is 325.77. What's more,Its systematic name is Midazolam.It is a White Crystaline Solid.And it 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.

Physical properties about Midazolam are:
(1)ACD/LogP:  3.798; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  3.23; (4)ACD/LogD (pH 7.4):  3.78; (5)ACD/BCF (pH 5.5):  123.20; (6)ACD/BCF (pH 7.4):  438.42; (7)ACD/KOC (pH 5.5):  753.79; (8)ACD/KOC (pH 7.4):  2682.51; (9)#H bond acceptors:  3; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  1; (12)Index of Refraction:  1.671; (13)Molar Refractivity:  89.654 cm3; (14)Molar Volume:  239.845 cm3; (15)Surface Tension:  46.1990013122559 dyne/cm; (16)Density:  1.358 g/cm3; (17)Flash Point:  254.295 °C; (18)Enthalpy of Vaporization:  76.472 kJ/mol; (19)Boiling Point:  496.865 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Fc4ccccc4C/1=N/Cc3cnc(n3c2c\1cc(Cl)cc2)C;
(2)Std. InChI:InChI=1S/C18H13ClFN3/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/h2-9H,10H2,1H3;
(3)Std. InChIKey:DDLIGBOFAVUZHB-UHFFFAOYSA-N.

The toxicity data of Midazolam as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child TDLo oral 500ug/kg (.5mg/kg) BEHAVIORAL: EXCITEMENT Annals of Emergency Medicine. Vol. 24, Pg. 1173, 1994.
mouse LD50 intramuscular > 50mg/kg (50mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13(Suppl,
mouse LD50 intravenous 50mg/kg (50mg/kg)   British Journal of Clinical Pharmacology. Vol. 16, Pg. 37S, 1983.
mouse LDLo oral 500mg/kg (500mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13(Suppl,
rat LD50 intramuscular > 50mg/kg (50mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13(Suppl,
rat LD50 intravenous 75mg/kg (75mg/kg)   British Journal of Clinical Pharmacology. Vol. 16, Pg. 37S, 1983.
rat LD50 oral 215mg/kg (215mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13(Suppl,
women TDLo intravenous 74ug/kg/1M-C (.074mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Australian and New Zealand Journal of Medicine. Vol. 25, Pg. 743, 1995.