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Alfentanil hydrochloride

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Name

Alfentanil hydrochloride

EINECS 273-846-3
CAS No. 69049-06-5 Density N/A
PSA 85.49000 LogP 2.12380
Solubility N/A Melting Point 92-94?C
Formula C21H33ClN6O3 Boiling Point 511.8 °C at 760 mmHg
Molecular Weight 452.984 Flash Point 263.3 °C
Transport Information N/A Appearance N/A
Safety 16-36/37-45 Risk Codes 11-23/24/25-39/23/24/25
Molecular Structure Molecular Structure of 69049-06-5 (Alfentanil hydrochloride) Hazard Symbols F,T
Synonyms

Propanamide,N-[1-[2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)-4-piperidinyl]-N-phenyl-,monohydrochloride (9CI);Alfentanyl hydrochloride;R39209;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);N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide hydrochloride;

Article Data 2

Alfentanil hydrochloride Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 20mg/kg (20mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Drug Development Research. Vol. 1, Pg. 83, 1981.
rat LD50 intravenous 47500ug/kg (47.5mg/kg) BEHAVIORAL: ANALGESIA Drug Development Research. Vol. 1, Pg. 83, 1981.