CAS 18559-94-9|Salbutamol

Introduction:Basic information about CAS 18559-94-9|Salbutamol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameSalbutamol
CAS Number18559-94-9Molecular Weight239.311
Density1.2±0.1 g/cm3Boiling Point433.5±40.0 °C at 760 mmHg
Molecular FormulaC13H21NO3Melting Point157-158ºC
MSDSChineseUSAFlash Point159.5±17.9 °C
Symbol
GHS07
Signal WordWarning

Names

Namealbuterol
SynonymMore Synonyms

Salbutamol BiologicalActivity

DescriptionSalbutamol is a short-acting β2-adrenergic receptor agonist used for the relief of bronchospasm in conditions such as asthma and chronic obstructive pulmonary disease (COPD).
Related CatalogSignaling Pathways >>GPCR/G Protein >>Adrenergic ReceptorResearch Areas >>Neurological Disease

Chemical & Physical Properties

Density1.2±0.1 g/cm3
Boiling Point433.5±40.0 °C at 760 mmHg
Melting Point157-158ºC
Molecular FormulaC13H21NO3
Molecular Weight239.311
Flash Point159.5±17.9 °C
Exact Mass239.152145
PSA72.72000
LogP0.01
Vapour Pressure0.0±1.1 mmHg at 25°C
Index of Refraction1.566
StabilityStable, but light sensitive. Incompatible with strong oxidizing agents.

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZE4400000
CHEMICAL NAME :
m-Xylene-alpha,alpha'-diol, alpha'-((tert-butylamino)methyl)-4-hydroxy-
CAS REGISTRY NUMBER :
18559-94-9
LAST UPDATED :
199612
DATA ITEMS CITED :
20
MOLECULAR FORMULA :
C13-H21-N-O3
MOLECULAR WEIGHT :
239.35
WISWESSER LINE NOTATION :
Q1R BQ EYQ1MX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
1600 ug/kg
TOXIC EFFECTS :
Behavioral - tremor
REFERENCE :
HETOEA Human & Experimental Toxicology. (Macmillan Press Ltd., Brunel Road, Houndmills, Basingstoke, Hampshire, RG21 2XS, UK) V.9- 1990- Volume(issue)/page/year: 12,397,1993
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
600 ug/kg
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting
REFERENCE :
HETOEA Human & Experimental Toxicology. (Macmillan Press Ltd., Brunel Road, Houndmills, Basingstoke, Hampshire, RG21 2XS, UK) V.9- 1990- Volume(issue)/page/year: 12,397,1993
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
5714 ug/kg
TOXIC EFFECTS :
Behavioral - tremor Cardiac - pulse rate increase, without fall in BP Nutritional and Gross Metabolic - changes in potassium
REFERENCE :
AEMED3 Annals of Emergency Medicine. (American College of Emergency Physicians, 1125 Executive Circle, Irving, TX 75038) Volume(issue)/page/year: 22,1474,1993
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
1850 ug/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - excitement Cardiac - change in rate
REFERENCE :
BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 282,1932,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
2240 ug/kg
TOXIC EFFECTS :
Behavioral - tremor Cardiac - pulse rate increase, without fall in BP Nutritional and Gross Metabolic - changes in potassium
REFERENCE :
AEMED3 Annals of Emergency Medicine. (American College of Emergency Physicians, 1125 Executive Circle, Irving, TX 75038) Volume(issue)/page/year: 22,1474,1993
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
36 ug/kg/6H
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Behavioral - irritability
REFERENCE :
BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 292,1430,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
1700 ug/kg
TOXIC EFFECTS :
Cardiac - pulse rate increase, without fall in BP Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - changes in potassium
REFERENCE :
AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 12,64,1994
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human
DOSE/DURATION :
6 ug/kg
TOXIC EFFECTS :
Cardiac - arrhythmias (including changes in conduction) Cardiac - change in rate Vascular - change in plasma or blood volume
REFERENCE :
BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 1,365,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
660 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4026897
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
295 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 4,193,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 4,193,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
57100 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4026897
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2707 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (5),41,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
239 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 4,193,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
737 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 4,193,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
48700 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 4,193,1973 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
900 mg/kg/30D-I
TOXIC EFFECTS :
Cardiac - changes in heart weight Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,689,1980 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
160 ug/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
RDCNBM Reproduccion. (Madrid, Spain) V.1-7, 1974-83. Discontinued. Volume(issue)/page/year: 5,31,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
3600 ug/kg
SEX/DURATION :
female 16-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - other effects to embryo
REFERENCE :
DPTHDL Developmental Pharmacology and Therapeutics. (S. Karger Pub., Inc., 79 Fifth Ave., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 4(Suppl 1),150,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7182 No. of Facilities: 48 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 744 (estimated) No. of Female Employees: 603 (estimated)

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH302
Precautionary StatementsP301 + P312 + P330
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXn:Harmful;
Risk PhrasesR22
Safety PhrasesS36
RIDADRUN 3249
WGK Germany3
RTECSZE4400000
Packaging GroupIII
Hazard Class6.1(b)
HS Code2922509090

Customs

HS Code2922509090
Summary2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Synonyms

(±)-Albuterol
Salbuvent
(±)-Salbutamol
Salbuven
3,6-Dihydroxy-1-methyl-5-oxo-3,5-dihydro-2H-indolium-betain
4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)benzolol
3-HYDROXY-1-METHYL-5,6-INDOLINE-DIONE
EINECS 242-424-0
Salbutan
adrenochrome free base
adraxone
Salbutamol
Albuterol
D,L-ADRENOCHROME
a1-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-a,a'-diol
4-Hydroxy-3-hydroxymethyl-a-[(tert-butylamino)methyl]benzyl Alcohol
L-Adrenochrome,free base
3,6-dihydroxy-1-methyl-5-oxo-3,5-dihydro-2H-indolium betaine
2-(Hydroxymethyl)-4-{1-hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}phenol
2,3-dihydro-3-hydroxy-1-methyl-1H-indole-5,6-dione
Salbutamol free base
Airomir
Asmol
3-hydroxy-1-methyl-2,3-dihydro-indole-5,6-dione
(±)-a1-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol
1,3-Benzenedimethanol, α1-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-
1-Methyl-3-hydroxyindoline-5,6-dione
1,3-Benzenedimethanol, α-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-
Eolene
Novosalmol
4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol
3-hydroxy-1-methylindoline-5,6-dione
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
MFCD00869868
Proventil
3-hydroxy-1-methyl-6-indolinedione
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