Name: N-Acetyl-L-cysteine
SKU: 616-91-1

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Basic Information

Molecular Structure:
CAS No.:	616-91-1
Name:	N-Acetyl-L-cysteine
Article Data:	45

Formula:	C₅H₉NO₃S
Molecular Weight:	163.197
Synonyms:	Sodium 2-acetamido-3-mercaptopropionate;Mucolytikum Lappe;Acetein;Fluatox;(2R)-2-acetamido-3-sulfanyl-propanoic acid;Fabrol;Fluibiotic;Flumicil;Airbron;Mucosolvin;Tixair;Fluimucetin;N- Acetyl -L- Cysteine;Brunac;Ac-Cys;N-Acetyl Cysteine;Acetyl-L-cysteine;(R)-N-Acetylcysteine;Mercapturic acid, (R)-;L-Acetylcysteine;Mucomyst (TN);Mucofilin;(2R)-2-acetamido-3-sulfanyl-propanoate;N-Acetyl-L-Cysteine(NAC);Mucomyst;L-Cysteine, N-acetyl-;N-Acetyl-L-cysteine;N-Acetylcysteine;Flumucetin;Mucolyticum;Respaire;Mercapturic acid;Acetylcysteine (JAN/USP);L-Cysteine,N-acetyl-;Sodium N-acetyl-L-cysteinate;Cysteine, N-acetyl-, L-;Broncholysin;Parvolex;Broncholysin (mucolytic);Fluimucil;L-Cysteine, N-acetyl-,;
EINECS:	210-498-3
Density:	1.295 g/cm³
Melting Point:	106-108 °C
Boiling Point:	407.678 °C at 760 mmHg
Flash Point:	200.357 °C
Solubility:	Soluble in water, ethanol, methanol, dimethyl sulfoxide, hot isopropyl alcohol, methyl acetate and ethyl acetate. Insoluble in chloroform and ether.
Appearance:	White crystalline powder
Risk Codes:	36/37/38
Safety:	22-24/25
PSA:	105.20000
LogP:	-0.10360

Synthetic route

: 108-24-7
acetic anhydride

: 7048-04-6
L-cysteine hydrochloride monohydrate

: 616-91-1
N-acetylcystein

Conditions

Conditions	Yield
With sodium acetate In tetrahydrofuran; water at 10 - 60℃; for 37h; pH=4 - 5; Inert atmosphere;	85%

: 463-51-4
Ketene

: 56-89-3
L-cystine

: 616-91-1
N-acetylcystein

Conditions

Conditions	Yield
durch Erwaermen des Reaktionsprodukts mit Zink und Essigsaeure auf 50-60grad; Reinigung ueber das Kupfer(I)-Salz;

: 56-89-3
L-cystine

: 108-24-7
acetic anhydride

: 616-91-1
N-acetylcystein

Conditions

Conditions	Yield
With sodium hydroxide durch Erwaermen des Reaktionsprodukts mit Zink und Essigsaeure auf 50-60grad; Reinigung ueber das Kupfer(I)-Salz;

: 108-22-5
Isopropenyl acetate

: 52-90-4
L-Cysteine

: 616-91-1
N-acetylcystein

Conditions

Conditions	Yield
In water

: Sodium; (R)-2-methyl-4,5-dihydro-thiazole-4-carboxylate

: 616-91-1
N-acetylcystein

Conditions

Conditions	Yield
With hydrogenchloride

: 86124-83-6
N-Acetyl-S-<2-(4-ethoxycarbonylphenylsulfonyl)ethyl>cystein

A: 616-91-1
N-acetylcystein

B: 5535-48-8
PVS

Conditions

Conditions	Yield
With sodium hydroxide Ambient temperature; reaction times, various conc. of NaOH, add. of N-Acetyl-S-<2-(phenylsulfonyl)ethyl>-cystein;

: N-Acetyl-L-cysteine disulfide radical anion

: 616-91-1
N-acetylcystein

Conditions

Conditions	Yield
With water; dinitrogen monoxide at 22℃; Equilibrium constant; Rate constant; Irradiation; various pH;

: 60-24-2
2-hydroxyethanethiol

: 675587-70-9
Nα-acetyl-S-(2,4-dinitro-5-(dimethylaminomethyl)phenyl)-L-cysteine

A: 616-91-1
N-acetylcystein

B: N,N-dimethyl-2,4-dinitro-5-((2-hydroxyethyl)thio)benzylamine

Conditions

Conditions	Yield
With sodium phosphate buffer for 1h; pH=8.0;

...Expand

: 1222442-92-3
2-acetamido-3-(3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoylthio)propanoic acid

A: 616-91-1
N-acetylcystein

B: 16048-89-8, 921-28-8, 16048-77-4, 111408-27-6, 113473-21-5, 126576-14-5
2-hydroxy-3-isopropylbutanedioic acid

Conditions

Conditions	Yield
With water; sodium hydroxide at 40℃; for 1h;

: 72-18-4
L-valine

: 1415322-55-2
N-acetyl-S-[[4-(4-aminobenzyl)phenyl]carbamoyl]-cysteine

A: 616-91-1
N-acetylcystein

B: 1415322-26-7
N-([4-(4-aminobenzyl)-phenyl]carbamoyl)-valine

C: 1,3-bis{4-[4-aminobenzyl]-phenyl}urea

Conditions

Conditions	Yield
In aq. phosphate buffer at 37℃; for 5h; pH=7.4;

...Expand

Raw Materials

86124-83-6

56-89-3

463-51-4

52-90-4

108-22-5

108-24-7

Downstream Products

52-90-4

Total:356 Page 1 of 10 1 2 3 4 5 6 …10 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

1. Introduction of N-Acetyl-cysteine

N-Acetyl-cysteine, with the IUPAC Name of (2R)-2-acetamido-3-sulfanylpropanoic acid, is one kind of white crystalline powder. This product belongs to the Product Categories which include Phenylalanine analogs and other aromatic alpha amino acids; Amino; Amino Acids; Cysteine [Cys, C];Ac-Amino Acids; Amino Acids (N-Protected); Antioxidant; Biochemistry; Nutritional Supplements; Pharmaceutical Intermediates; N-Acetyl-Amino acid series; Miscellaneous Compounds.

2. Properties of N-Acetyl-cysteine

N-Acetyl-cysteine has the following property datas: (1)Freely Rotating Bonds: 4; (2)Polar Surface Area: 71.91 ?2; (3)Index of Refraction: 1.518; (4)Molar Refractivity: 38.25 cm3; (5)Molar Volume: 126 cm3; (6)Surface Tension: 49.9 dyne/cm; (7)Density: 1.294 g/cm3; (8)Flash Point: 200.4 °C; (9)Enthalpy of Vaporization: 72.37 kJ/mol; (10)Boiling Point: 407.7 °C at 760 mmHg; (11)Vapour Pressure: 8.68E-08 mmHg at 25°C; (12)EINECS: 210-498-3; (13)Melting point: 106-108 °C; (14)alpha: -35.1 oC (c=2,H2O); (15)Storage temp: 2-8°C; (16)Solubility: H2O: 100 mg/mL with heating.

3. Structure Descriptors of N-Acetyl-cysteine

You could convert the following datas into the molecular structure:
(1)InChI: InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
(2)InChIKey: InChIKey=PWKSKIMOESPYIA-BYPYZUCNSA-N
(3)Smiles: [C@@H](NC(=O)C)(C(=O)O)CS

4. Toxicity of N-Acetyl-cysteine

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
child	TDLo	multiple routes	8480mg/kg/3D- (8480mg/kg)	LIVER: LIVER FUNCTION TESTS IMPAIRED	Pediatrics. Vol. 79, Pg. 281, 1987.
dog	LD50	intraperitoneal	700mg/kg (700mg/kg)		Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 479, 1979.
dog	LD50	intravenous	700mg/kg (700mg/kg)		Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 479, 1979.
dog	LD50	oral	> 1gm/kg (1000mg/kg)		Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 479, 1979.
mouse	LD50	intraperitoneal	400mg/kg (400mg/kg)		National Technical Information Service. Vol. AD691-490,
mouse	LD50	intravenous	3800mg/kg (3800mg/kg)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Medicinal Chemistry. Vol. 10, Pg. 1172, 1967.
mouse	LD50	oral	4400mg/kg (4400mg/kg)		European Patent Application. Vol. #0192191,
rat	LD50	intravenous	1140mg/kg (1140mg/kg)	GASTROINTESTINAL: OTHER CHANGES	European Journal of Respiratory Diseases. Vol. 61(Suppl,
rat	LD50	oral	5050mg/kg (5050mg/kg)		Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.

5. Safety Information of N-Acetyl-cysteine

Poison by intraperitoneal route. Moderately toxic by other routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of NO_x and SO_x.
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-24/25
22: Do not breathe dust
24/25: Avoid contact with skin and eyes
F 10-23: Keep under argon. Sensitive to air
WGK Germany: 3

6. Use of N-Acetyl-cysteine (CAS NO.616-91-1)

N-Acetyl-cysteine is a pharmaceutical drug used mainly as a mucolytic agent and in the management of paracetamol (acetaminophen) overdose. It is also used post-operatively, as a diagnostic aid, and in tracheotomy care. Oral N-Acetyl-cysteine is used for the prevention of radiocontrast-induced nephropathy. Besides can be used in Petroff's method i.e. liquefaction and decontamination of sputum, in preparation for diagnosis of tuberculosis.

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Consensus Reports

Specification