Acetylcysteine(N-acetylcysteine)

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Names

[ CAS No. ]:
616-91-1

[ Name ]:
Acetylcysteine(N-acetylcysteine)

[Synonym ]:
AC-ASP-GLU
2-(acetylamino)-3-sulfanylpropanoic acid
N-acetyl-L-aspartyl-L-glutamate
Acetylcysteine
(R)-2-Acetamido-3-mercaptopropanoic acid
AC-ASP-GLU H2O
MFCD00004880
N-Acetylcysteine
EINECS 210-498-3
N-acetyl-aspartatylglutamate
NAAGA
SPAGLUMIC ACID
N-acetylcycteine
N-ACETYL-3-MERCAPTOALANINE
AC-ASP-GLU-OH
L-N-acetyl-cysteine
Isospaglumic acid
(2R)-2-acetylamino-2-carboxyethanethiol
N-acetyl-L-aspartyl-L-glutamic acid
Cysteine, N-acetyl-
N-acetyl-(R)-cysteine
Naaxia
ACETYL-D-E
N-Acetyl-L-Cysteine
NAAG
N-Acetyl-cysteine

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
407.7±40.0 °C at 760 mmHg

[ Melting Point ]:
106-108 °C(lit.)

[ Molecular Formula ]:
C5H9NO3S

[ Molecular Weight ]:
163.195

[ Flash Point ]:
200.4±27.3 °C

[ Exact Mass ]:
163.030319

[ PSA ]:
105.20000

[ LogP ]:
-0.15

[ Vapour Pressure ]:
0.0±2.0 mmHg at 25°C

[ Index of Refraction ]:
1.519

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HA1660000
CHEMICAL NAME :
Cysteine, N-acetyl-, L-
CAS REGISTRY NUMBER :
616-91-1
LAST UPDATED :
199701
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C5-H9-N-O3-S
MOLECULAR WEIGHT :
163.21
WISWESSER LINE NOTATION :
SH1YVQMV1 -L

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Multiple routes
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
8480 mg/kg/3D-I
TOXIC EFFECTS :
Liver - liver function tests impaired
REFERENCE :
PEDIAU Pediatrics. (American Academy of Pediatrics, P.O. Box 1034, Evanston, IL 60204) V.1- 1948- Volume(issue)/page/year: 79,281,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5050 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1140 mg/kg
TOXIC EFFECTS :
Gastrointestinal - other changes
REFERENCE :
EJRDD2 European Journal of Respiratory Diseases. (Munksgaard International Pub., c/o Pub. Expediting Inc., 200 Meacham Ave., Elmont, NY 11003) V.61- 1980- Volume(issue)/page/year: 61(Suppl 111),45,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0192191
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3800 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 10,1172,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,479,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,479,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,479,1979 *** REVIEWS *** TOXICOLOGY REVIEW CTOXAO Clinical Toxicology. (New York, NY) V.1-18, 1968-81. For publisher information, see JTCTDW. Volume(issue)/page/year: 12,601,1978 TOXICOLOGY REVIEW PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,479,1979 TOXICOLOGY REVIEW EJRDD2 European Journal of Respiratory Diseases. (Munksgaard International Pub., c/o Pub. Expediting Inc., 200 Meacham Ave., Elmont, NY 11003) V.61- 1980- Volume(issue)/page/year: 61(Suppl 111),45,1980 TOXICOLOGY REVIEW PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,479,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81688 No. of Facilities: 616 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 4525 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81688 No. of Facilities: 1677 (estimated) No. of Industries: 1 No. of Occupations: 14 No. of Employees: 31203 (estimated) No. of Female Employees: 21201 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
HA1660000

[ HS Code ]:
2930909090

Synthetic Route

Precursor & DownStream

Precursor

  • L-Cystine
  • Ethanoic anhydride
  • Isopropenyl acetate
  • L-cysteine
  • ketene
  • N-Acetyl-S-(2-(4-ethoxycarbonylphenylsulfonyl)ethyl)cystein

DownStream

  • L-Cystathionine
  • (2R,2'R)-cystathionine
  • N,N'-Diacetyl-L-cystine
  • S-nitroso-N-acetylcysteine
  • trans-[Pt(OH)2(c-C6H11NH2)(NH3)]
  • (2R)-2-acetamido-3-(2,4-dinitrophenyl)sulfanylpropanoic acid
  • 4-tert-butylbenzamide
  • 2-hydroxyestrone

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Related Compounds

  • Ac-DL-Cys-OH
  • Dimethyl diacetyl cystinate
  • 2-(acetylcysteine)-N-isopropylacetanilide
  • S-nitroso-N-acetylcysteine
  • S-(6-purinyl)-N-acetylcysteine
  • S-(2-methylbenzyl)-N-acetylcysteine
  • 4-amino-3-(1,5-dimethyl-1H-pyrazol-4-yl)butanoic acid
  • 3-(1,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanenitrile
  • [(4-Bromothiophen-3-yl)methyl](propyl)amine
  • n-((4-Bromothiophen-3-yl)methyl)propan-2-amine
  • N-[(4-bromothiophen-3-yl)methyl]cyclopropanamine
  • 2-(1,5-dimethyl-1H-pyrazol-4-yl)oxolan-3-amine
  • [(4-Bromothiophen-3-yl)methyl](tert-butyl)amine
  • n-((4-Bromothiophen-3-yl)methyl)-2-methylpropan-1-amine
  • n-((4-Bromothiophen-3-yl)methyl)-2-methoxyethan-1-amine
  • 3-amino-1-(1,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropan-1-ol
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