IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data
Identification
Product NameCarisoprodolIUPAC NameMolecular StructureCAS Registry Number 78-44-4EINECS Number201-118-7MDL NumberSynonymscarisoprodol78-44-4IsomeprobamateCarisoprodateSOMACarisoprodatumCarisomaIsobamateIsoprotaneIsoprothaneSanomaIsopropyl meprobamateAtonalytFlexartalMiolisodalMioratrinaSkutamilSomalgitApesanArusalFlexalMiorilNospasmRelasomSomanilRELACarlsoprolBrianilCalenfaCaprodatCarisolCarlsodolCarlsomaCarsodalDioleneDomaraxIsoprotanIzoprotanMediquilMioriodolSomadrilStialginCarisoprodolumCarsodolCarisoprodolum Tonolyt isopropyl meprobamateNCI-C56235SCH 7307MiolisodolFlexartelCB 8019Carisoprodol civ2-Methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate N-propan-2-ylcarbamate(1-Methylethyl)carbamic acid 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl esterNSC-172124Isopropylcarbamic acid, ester with 2-(hydroxymethyl)-2-methylpentyl carbamateMLS000028401CHEBI:3419ArtifarCaridolinChinchenFibrosonaFlexagiltFlexagitFlexidonListaflexMeprodatNeoticaMuslaxScutamil-CCarbamic acid, ester with 2-methyl-2-propyl-1,3-propanediol isopropylcarbamateCarbamic acid, (1-methylethyl)-, 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl esterCarbamic acid, isopropyl-, 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)NCGC00015278-09SMR00005843321925K482H(+-)-2-Methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamateCarbamic acid, (1-methylethyl)-, 2-methyl]-2-methylpentyl esterIsopropylmeprobamate2-((Carbamoyloxy)methyl)-2-methylpentyl isopropylcarbamate2-methyl-2-propyltrimethylene carbamate isopropylcarbamateCarisoprodolo N-isopropy-2-methyl-2-propyl-1,3-propanediol dicarbamateCarisoprodoloPrazolamineCarbamic acid 2-isopropylcarbamoyloxymethyl-2-methyl-pentyl ester(+/-)-2-methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamateCarbamic acid, ester with 2-(hydroxymethyl)-2-methylpentylisopropyl carbamateCCRIS 4764HSDB 3021SR-01000000076EINECS 201-118-7NSC 172124BRN 1791537Carisoprodol 2-{methyl}-2-methylpentyl isopropylcarbamateCAS-Molecular FormulaC12H24N2O4Molecular Weight260.330InChIInChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)InChI KeyOFZCIYFFPZCNJE-UHFFFAOYSA-N Canonical SMILESCCCC(C)(COC(=O)N)COC(=O)NC(C)C
Patent InformationPatent IDTitlePublication DateUS2010/76074CARBAMATE REDUCERS OF SKELETAL MUSCLE TENSION2010
Physical Data
AppearanceWhite crystalline powder
Melting Point, °C Solvent (Melting Point) 94.691 - 9491 - 92aq. propan-2-ol91 - 93benzene
Boiling Point, °C160 - 170250 - 252
Spectra
Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum1Hchloroform-d1500COSY (Correlation Spectroscopy), Spectrum1H, 1Hchloroform-d175HSQC (Heteronuclear Single Quantum Coherence), Spectrum1H, 13Cchloroform-d1
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Bands, SpectrumATR (attenuated total reflectance), Bands, SpectrumBands, Spectrumneat (no solvent, solid phase)
Route of Synthesis (ROS)
Route of Synthesis (ROS) of carisoprodol-cas-78-44-4
ConditionsYieldWith pyridine at 110℃; for 16h;72.5%
Safety and Hazards
No data available
Other Data
TransportationPreserve in tight container at room temperature,away from lightHS CodeNo available dataStoragePreserve in tight container at room temperature,away from lightShelf Life4 yearsMarket Price
DruglikenessLipinski rules componentMolecular Weight260.334logP2.105HBA6HBD2Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)90.65Rotatable Bond (RotB)10Matching Veber Rules2
Quantitative Results1 of 80Comment (Pharmacological Data)Bioactivities presentReferenceSchneider,G. et al.[Monatshefte fur Chemie, 1963, vol. 94, p. 426 - 4332 of 80Comment (Pharmacological Data)Bioactivities presentReferenceCurrent Patent Assignee: LABORATORIOS SILANES S.A. - EP1810674, 2007, A13 of 80Comment (Pharmacological Data)Bioactivities presentReferenceIdentification and prediction of promiscuous aggregating inhibitors among known drugs4 of 80Comment (Pharmacological Data)Bioactivities presentReferenceImpairment related to blood amphetamine and/or methamphetamine concentrations in suspected drugged drivers
Use Pattern3-Aminopyridine CAS#: 462-08-8 is an intermediate in pesticides and dyes; pesticide raw materials; analytical reagents.
https://www.chemwhat.com/carisoprodol-cas%ef%bc%9a78-44-4/
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