Basic information
- Name:
4H-Imidazo[1,5-a][1,4]benzodiazepine,8-chloro-6-(2-fluorophenyl)-1-methyl-, hydrochloride (1:1)
- Superlist Name:
- Midazolam hydrochloride
- CAS No.:
59467-96-8
- Molecular Structure:
![Molecular Structure of 59467-96-8 (4H-Imidazo[1,5-a][1,4]benzodiazepine,8-chloro-6-(2-fluorophenyl)-1-methyl-, hydrochloride (1:1))](http://www.lookchem.com/300w/2010/0623/59467-96-8.jpg)
- Formula:
- C18H13ClFN3.HCl
- Molecular Weight:
- 362.23
- 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;
- EINECS:
- 261-776-6
- Boiling Point:
- 496.9 °C at 760 mmHg
- Flash Point:
- 254.3 °C
- Transport Information:
- 3249
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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. |