CAS 78-44-4|Carisoprodol

Introduction:Basic information about CAS 78-44-4|Carisoprodol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameCarisoprodol
CAS Number78-44-4Molecular Weight260.330
Density1.1±0.1 g/cm3Boiling Point423.4±28.0 °C at 760 mmHg
Molecular FormulaC12H24N2O4Melting Point92-92°C
MSDS/Flash Point209.9±24.0 °C
Symbol
GHS07
Signal WordWarning

Names

Namecarisoprodol
SynonymMore Synonyms

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point423.4±28.0 °C at 760 mmHg
Melting Point92-92°C
Molecular FormulaC12H24N2O4
Molecular Weight260.330
Flash Point209.9±24.0 °C
Exact Mass260.173615
PSA90.65000
LogP2.15
Vapour Pressure0.0±1.0 mmHg at 25°C
Index of Refraction1.466
InChIKeyOFZCIYFFPZCNJE-UHFFFAOYSA-N
SMILESCCCC(C)(COC(N)=O)COC(=O)NC(C)C
Storage condition2-8°C
Water Solubility<0.1 g/100 mL at 19.5 ºC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FB3325000
CHEMICAL NAME :
Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)
CAS REGISTRY NUMBER :
78-44-4
BEILSTEIN REFERENCE NO. :
1791537
LAST UPDATED :
199806
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C12-H24-N2-O4
MOLECULAR WEIGHT :
260.38
WISWESSER LINE NOTATION :
ZVO1X3&1&1OVMY1&1

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 :
1320 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - other changes
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: 127,66,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - other changes
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: 127,66,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,340,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 238,92,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
165 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - other changes
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: 127,66,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
124 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - altered sleep time (including change in righting reflex) Behavioral - rigidity (including catalepsy)
REFERENCE :
IJNEAQ International Journal of Neuropharmacology. (New York, NY) V.1-8, 1962-69. For publisher information, see NEPHBW. Volume(issue)/page/year: 5,305,1966 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
126 gm/kg/15W-C
TOXIC EFFECTS :
Liver - changes in liver weight
REFERENCE :
TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 12,197,1992 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
277 gm/kg
SEX/DURATION :
male 15 week(s) pre-mating - 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 24,132,1995 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4826 No. of Facilities: 62 (estimated) No. of Industries: 2 No. of Occupations: 7 No. of Employees: 2431 (estimated) No. of Female Employees: 1194 (estimated)

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH302
Precautionary StatementsP301 + P312 + P330
Hazard CodesXn: Harmful;
Risk PhrasesR22
Safety PhrasesS36
RIDADRNONH for all modes of transport
RTECSFB3325000
HS Code2924199090

Customs

HS Code2924199090
Summary2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Synonyms

EINECS 201-118-7
2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate
1-Carbamoyloxy-2-isopropylcarbamoyloxymethyl-2-methyl-pentan
Carisol
2-[(carbamoyloxy)methyl]-2-methylpentyl (1-methylethyl)carbamate
N-isopropyl 2-methyl-2-propyl-propane-1,3-diol di(carbamate)
Carbamic acid, (1-methylethyl)-, 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl ester
RELA
4-methyl-4-propyl-2,6-dioxa-heptanedioic acid amide-isopropylamide
Brianil
4-Methyl-4-propyl-2,6-dioxa-heptandisaeure-amid-isopropylamid
Flexal
carisoprodol
cb8019
1-Carbamoyloxy-3-isopropylcarbamoyloxy-2-methyl-2-propyl-propan
Carisoma
2-[(carbamoyloxy)methyl]-2-methylpentyl (1-methylethyl)carbamate (non-preferred name)
2-{[(aminocarbonyl)oxy]methyl}-2-methylpentyl isopropylcarbamate
Mioril
carbamic acid, (1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester
Carbamic acid, N-(1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester
Apesan
Sanoma
Arusal
2-[(carbamoyloxy)methyl]-2-methylpentyl propan-2-ylcarbamate (non-preferred name)
Soma
MFCD00057661
Calenfa
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