Alfentanil hydrochloride supplier

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Name
Alfentanil hydrochloride
EINECS 273-846-3
CAS No. 69049-06-5
Article Data2
CAS DataBase
Density
Solubility
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
Appearance
Safety 16-36/37-45
Risk Codes 11-23/24/25-39/23/24/25
Molecular Structure
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;
PSA 85.49000
LogP 2.12380

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.

Product Name

Alfentanil hydrochloride

Alfentanil hydrochloride Specification

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