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Carisoprodol

CAT: 0572-TRC-C183580-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C183580-50MGSize:50 mg
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CAS Number
78-44-4
Synonyms
Carisoprodol; (2RS)-2-[(Carbamoyloxy)methyl]-2-methylpentyl (1-methylethyl)carbamate; Carbamic acid, N-(1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester; Carbamic acid, (1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester (9CI); Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester) (8CI); Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (6CI); 2-Methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate; Apesan; Arusal; Atonalyt; Calenfa; Caprodat; Carisol; Carisoma; Carisoprodate; Carisoprodatum; Domarax; Flexal; Flexartal; Isobamate; Isomeprobamate; Isopropyl meprobamate; Isoprotan; Isoprotane; Isoprothane; Izoprotan; Miolisodal; Mioril; N-Isopropyl-2-methyl-2-propyl-1,3-propanediol dicarbamate; NIH 10966; NSC 172124; Rela; Relasom; Sanoma; Skutamil; Soma; Somadril; Somalgit; Stialgin
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCCC(C)(COC(=O)N)COC(=O)NC(C)C
Molecular Formula
C12 H24 N2 O4
Molecular Weight
260.33
InChI
InChI=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)
Additionnal Information
IUPAC name: [2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Carisoprodol

Carisoprodol is a carbamate ester that is the mono-N-isopropyl derivative of meprobamate (which is a significant metabolite). Carisoprodol interrupts neuronal communication within the reticular formation and spinal cord, resulting in sedation and alteration in pain perception. It is used as a muscle relaxant in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. It has a role as a muscle relaxant.

CAS Number78-44-4
PubChem CID2576
IUPAC Name[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
Molecular FormulaC12H24N2O4
Molecular Weight260.33
XLogP1.9
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count18
Formal Charge0
Complexity281
SMILES
CCCC(C)(COC(=O)N)COC(=O)NC(C)C
InChI
InChI=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)
InChIKey
OFZCIYFFPZCNJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carisoprodol
CAS: 78-44-4
CID: 2576
Formula: C12H24N2O4
MW: 260.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.33
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass260.17360725
Monoisotopic Mass260.17360725
Topological Polar Surface Area90.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS6070538-01Carisoprodol
AR-C01477-01Carisoprodol-d3
163016Carisoprodol Glucuronide
470471Carisoprodol (Soma)
sc-504694Carisoprodol-d7
DAA42434-01Hydroxy carisoprodol
445985-01Dehydro Carisoprodol
DAG3107Carisoprodol [BSA]
445987-01Dehydro Carisoprodol-d7
AR-C06306-01Carisoprodol Impurity 2

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