CAS 114-80-7|Neostigmine Bromide

Introduction:Basic information about CAS 114-80-7|Neostigmine Bromide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameNeostigmine Bromide
CAS Number114-80-7Molecular Weight303.195
Density/Boiling Point/
Molecular FormulaC12H19BrN2O2Melting Point175-177 °C(lit.)
MSDSChineseUSAFlash Point/
Symbol
GHS06, GHS08
Signal WordDanger

Names

Nameneostigmine bromide
SynonymMore Synonyms

Neostigmine Bromide BiologicalActivity

DescriptionNeostigmine Bromide is a cholinesterase inhibitor used in the treatment of myasthenia gravis.Target: CholinesteraseNeostigmine is a parasympathomimetic that acts as a reversible acetylcholinesterase inhibitor. Neostigmine enhances excitatory parasympathetic activity by competing with acetylcholine for attachment to acetylcholinesterase at sites of cholinergic transmission and enhancing cholinergic action. Neostigmine is a safe and effective treatment for acute colonic pseudo-obstruction [1].
Related CatalogSignaling Pathways >>Others >>OthersResearch Areas >>Metabolic Disease
References

[1]. Trevisani, G.T., N.H. Hyman, and J.M. Church, Neostigmine: safe and effective treatment for acute colonic pseudo-obstruction. Dis Colon Rectum, 2000. 43(5): p. 599-603.

Chemical & Physical Properties

Melting Point175-177 °C(lit.)
Molecular FormulaC12H19BrN2O2
Molecular Weight303.195
Exact Mass302.062988
PSA29.54000
InChIKeyLULNWZDBKTWDGK-UHFFFAOYSA-M
SMILESCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]
Water Solubility1 g/ mL

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BR3150000
CHEMICAL NAME :
Ammonium, (m-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate
CAS REGISTRY NUMBER :
114-80-7
LAST UPDATED :
199710
DATA ITEMS CITED :
14
MOLECULAR FORMULA :
C12-H19-N2-O2.Br
MOLECULAR WEIGHT :
303.24
WISWESSER LINE NOTATION :
1N1&VOR CK1&1&1 &E

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
51 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 120,511,1965
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
835 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 136,20,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
370 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - chromodacryorrhea Gastrointestinal - hypermotility, diarrhea Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 39,701,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
165 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - chromodacryorrhea Gastrointestinal - hypermotility, diarrhea Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 39,701,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 120,511,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
610 ug/kg
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 57,172,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
420 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 99,16,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
130 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 16,164,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
380 ug/kg
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 3,508,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
7449 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,352,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
171 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,352,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5641 No. of Facilities: 17 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 303 (estimated) No. of Female Employees: 166 (estimated)

Safety Information

Symbol
GHS06, GHS08
Signal WordDanger
Hazard StatementsH300 + H310 + H330-H315-H317-H319-H334-H335
Precautionary StatementsMissing Phrase - N15.00950417-P260-P280-P284-P302 + P352 + P310-P304 + P340 + P310
Personal Protective EquipmentEyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard CodesT: Toxic;T+: Very toxic;
Risk PhrasesR25;R36/37/38;R42/43
Safety Phrases22-26-36/37/39-45-37/39-28A
RIDADRUN 2811 6.1/PG 2
WGK Germany3
RTECSBR3150000
Packaging GroupII
Hazard Class6.1(a)
HS Code2924299090

Customs

HS Code2924299090
Summary2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Synonyms

Neostigmin
stigmanolbromide
Prostigmi
Vagostigmine bromide
Neoesserin
Prostigmin bromide
stigmosanbromide
3-(N,N-Dimethylcarbamoyloxy)-N,N,N,-trimethylanilinium bromide,Prostigmine
(3-Dimethylcarbamoyloxyphenyl)trimethylammonium Bromide
neoserinebromide
MFCD00011795
prostigmin
Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, bromide (1:1)
EINECS 204-054-8
Vagostigmin bromide
3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide
(3-Hydroxyphenyl)trimethylammonium Bromide Dimethyl Carbamate
PROSTIGMINE
3-Dimethylcarbamoyloxy-tri-N-methyl-anilinium,Bromid
3-((Dimethylcarbamoyl)oxy)-N,N,N-trimethylbenzenaminium bromide
Juvastigmin
3-dimethylcarbamoyloxy-tri-N-methyl-anilinium,bromide
eustigminbromide
Neostigmine Bromide
Neostigmine (Bromide)
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