69049-06-5

The Alfentanil hydrochloride, with the CAS registry number 69049-06-5, is also known as Propanamide,N-[1-[2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)-4-piperidinyl]-N-phenyl-,hydrochloride (1:1). It belongs to the product categories of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 273-846-3. This chemical's molecular formula is C₂₁H₃₃ClN₆O₃ and molecular weight is 452.98. What's more, its systematic name is N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide hydrochloride. It can produce an early peak analgesic effect and fast recovery of consciousness. It is effective as an anesthetic during surgery, for supplementation of analgesia during surgical procedures, and as an analgesic for critically ill patients.

Physical properties of Alfentanil hydrochloride are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 1.61; (6)ACD/BCF (pH 7.4): 16.95; (7)ACD/KOC (pH 5.5): 24.19; (8)ACD/KOC (pH 7.4): 254.26; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 81.05 Å²; (13)Flash Point: 263.3 °C; (14)Enthalpy of Vaporization: 78.28 kJ/mol; (15)Boiling Point: 511.8 °C at 760 mmHg; (16)Vapour Pressure: 1.37E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC.Cl
(2)InChI: InChI=1S/C21H32N6O3.ClH/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26;/h6-10H,4-5,11-17H2,1-3H3;1H
(3)InChIKey: AQORHZJDCHLLJN-UHFFFAOYSA-N

The toxicity data is as follows: