33125-97-2

The Etomidate, with the CAS registry number 33125-97-2, is also known as Imidazole-5-carboxylic acid, 1-(α-methylbenzyl)-, ethyl ester, (R)-(+)-. It belongs to the product categories of Chiral; Aromatics Compounds; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; GABA/Glycine receptor; GABA. Its EINECS registry number is 251-385-9. This chemical's molecular formula is C₁₄H₁₆N₂O₂ and molecular weight is 244.29. What's more, its systematic name is called Ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate. Etomidate is a short acting intravenous anaesthetic agent used for the induction of general anaesthesia and for sedation for short procedures such as reduction of dislocated joints, tracheal intubation and cardioversion.

Physical properties about Etomidate are: (1)ACD/LogP: 3.256; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 166.82; (6)ACD/BCF (pH 7.4): 175.63; (7)ACD/KOC (pH 5.5): 1336.15; (8)ACD/KOC (pH 7.4): 1406.70; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 70.848 cm³; (15)Molar Volume: 218.528 cm³; (16)Polarizability: 28.086×10^-24cm³; (17)Surface Tension: 39.829 dyne/cm; (18)Density: 1.118 g/cm³; (19)Flash Point: 190.563 °C; (20)Enthalpy of Vaporization: 64.11 kJ/mol; (21)Boiling Point: 391.485 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and it is harmful if swallowed. Therefore, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cncn1[C@@H](c2ccccc2)C
(2) InChI: InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
(3) InChIKey: NPUKDXXFDDZOKR-LLVKDONJSA-N

The toxicity data is as follows: