Product Name

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  • Name

    Midazolam hydrochloride

  • EINECS 261-776-6
  • CAS No. 59467-96-8
  • Density
  • Solubility
  • Melting Point
  • Formula C18H13ClFN3.HCl
  • Boiling Point 496.9 °C at 760 mmHg
  • Molecular Weight 362.234
  • Flash Point 254.3 °C
  • Transport Information 3249
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 59467-96-8 (Midazolam hydrochloride)
  • Hazard Symbols
  • Synonyms 4H-Imidazo[1,5-a][1,4]benzodiazepine,8-chloro-6-(2-fluorophenyl)-1-methyl-, monohydrochloride (9CI);Hypnovel;Midazolam hydrochloride;Ro 21-3981/003;Rocam;Syrpalta;Versed;
  • PSA 30.18000
  • LogP 4.56180

Midazolam hydrochloride Specification

The CAS register number of Midazolam hydrochloride is 59467-96-8. It also can be called as 4H-Imidazo[1,5-a][1,4]benzodiazepine,8-chloro-6-(2-fluorophenyl)-1-methyl-, hydrochloride (1:1) and the IUPAC name about this chemical is 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine hydrochloride. It belongs to the Antibiotics.

Physical properties about Midazolam hydrochloride are: (1)ACD/LogP: 3.93; (2)ACD/LogD (pH 5.5): 3.48; (3)ACD/LogD (pH 7.4): 3.92; (4)ACD/BCF (pH 5.5): 204.21; (5)ACD/BCF (pH 7.4): 560.84; (6)ACD/KOC (pH 5.5): 1168.59; (7)ACD/KOC (pH 7.4): 3209.41; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 30.18Å2; (11)Flash Point: 254.3 °C; (12)Enthalpy of Vaporization: 76.47 kJ/mol; (13)Boiling Point: 496.9 °C at 760 mmHg; (14)Vapour Pressure: 5.21E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Fc4ccccc4C/1=N/Cc3cnc(n3c2c\1cc(Cl)cc2)C
(2)InChI: InChI=1/C18H13ClFN3.ClH/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;1H
(3)InChIKey: PLYSCVSCYOQVRP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C18H13ClFN3.ClH/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;1H
(5)Std. InChIKey: PLYSCVSCYOQVRP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child TDLo intravenous 200ug/kg (0.2mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"

SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE
British Medical Journal. Vol. 293, Pg. 822, 1986.
child TDLo intravenous 22mg/kg/4D-I (22mg/kg) LIVER: OTHER CHANGES

BLOOD: CHANGE IN CLOTTING FACTORS
British Medical Journal. Vol. 289, Pg. 799, 1984.
man TDLo intravenous 43ug/kg (0.043mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY OBSTRUCTION
Annals of Emergency Medicine. Vol. 32, Pg. 263, 1998.
man TDLo intravenous 71ug/kg (0.071mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"

SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE
British Medical Journal. Vol. 293, Pg. 822, 1986.
 

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