CAS 523-87-5|dimenhydrinate

Introduction:Basic information about CAS 523-87-5|dimenhydrinate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Namedimenhydrinate
CAS Number523-87-5Molecular Weight469.96400
Density/Boiling Point343.7ºC at 760 mmHg
Molecular FormulaC24H28ClN5O3Melting Point102-107ºC
MSDSUSAFlash Point101.5ºC
Symbol
GHS07
Signal WordWarning

Names

Namedimenhydrinate
SynonymMore Synonyms

dimenhydrinate BiologicalActivity

DescriptionDimenhydrinate is an anti-emetic and anti-histamine commonly available over-the-counter as a motion sickness remedy.
Related CatalogSignaling Pathways >>GPCR/G Protein >>Histamine ReceptorSignaling Pathways >>Immunology/Inflammation >>Histamine ReceptorNatural Products >>OthersResearch Areas >>Neurological Disease

Chemical & Physical Properties

Boiling Point343.7ºC at 760 mmHg
Melting Point102-107ºC
Molecular FormulaC24H28ClN5O3
Molecular Weight469.96400
Flash Point101.5ºC
Exact Mass469.18800
PSA85.15000
LogP2.96790
InChIKeyNFLLKCVHYJRNRH-UHFFFAOYSA-N
SMILESCN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
Storage condition2-8°C
Water SolubilitySlightly soluble (0.1-1 g/100 mL at 22 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5082000
CAS REGISTRY NUMBER :
523-87-5
LAST UPDATED :
199701
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C17-H21-N-O.C7-H7-Cl-N4-O2
MOLECULAR WEIGHT :
470.02
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CG F H &622

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Brain and Coverings - increased intracranial pressure Behavioral - convulsions or effect on seizure threshold Cardiac - arrhythmias (including changes in conduction)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
11400 ug/kg
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
114 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - coma Cardiac - arrhythmias (including changes in conduction)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
203 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
149 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
333 ug/plate
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9(Suppl 9),1,1987 *** REVIEWS *** TOXICOLOGY REVIEW JRPMAP Journal of Reproductive Medicine. (2 Jacklynn Ct., St. Louis, MO 63132) V.3- 1969- Volume(issue)/page/year: 12,27,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3669 No. of Facilities: 98 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1754 (estimated) No. of Female Employees: 962 (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 Phrases22-26-36/37/39-53
RIDADRNONH for all modes of transport
WGK Germany3
RTECSXH5082000
HS Code2933990090

Customs

HS Code2933990090
Summary2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Synonyms

faston
dromyl
N-(2-Diphenylmethoxyethyl)-N,N-dimethylammonium 8-chlorotheophyllinate
8-Chlor-1,3-dimethyl-3,7-dihydro-purin-2,6-dion,Verbindung mit (2-Benzhydryloxy-aethyl)-dimethyl-amin
gravol
epha
EINECS 208-350-8
vomexa
amosyt
MFCD00054265
emedyl
dramyl
emes
Dimenhydrinate
8-chloro-1,3-dimethyl-3,7-dihydro-purine-2,6-dione,compound with (2-benzhydryloxy-ethyl)-dimethyl-amine
Dimenhydrinase
DiMate
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