Carisoprodol

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Systematic / IUPAC Name: [2-(Carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate

ID: Reference665

Other Names: 2-Methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate;
Isopropylcarbamic acid, ester with 2-(hydroxymethyl)-2-methylpentyl carbamate;
(1-Methylethyl)carbamic acid 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl ester;
Carbamic acid, (1-methylethyl), 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester;
N-Isopropyl-2-methyl-2-propyl-1,3-propanediol dicarbamate ; more

Formula: C12H24N2O4

Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs

Spectral Data

Carisoprodol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 253
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/25/2017 11:44:47 AM
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Identificators

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)
InChI Key OFZCIYFFPZCNJE-UHFFFAOYSA-N
Canonical SMILES CCCC(C)(COC(=O)N)COC(=O)NC(C)C
CAS 78444
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Other Names 2-Methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate;
Isopropylcarbamic acid, ester with 2-(hydroxymethyl)-2-methylpentyl carbamate;
(1-Methylethyl)carbamic acid 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl ester;
Carbamic acid, (1-methylethyl), 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester;
N-Isopropyl-2-methyl-2-propyl-1,3-propanediol dicarbamate;
2-{[(Aminocarbonyl)oxy]methyl}-2-methylpentyl isopropylcarbamate;
2-Methyl-2-{[N-(methylethyl)carbamoyloxy]methyl}pentyl aminooate;
Carisoprodate;
Isomeprobamate;
Carisoma;
Sanoma;
Isobamate;
Soma;
Atonalyt;
Flexartal;
Isoprothane;
Listaflex;
Mioartrina;
Miolisodal;
Skutamil;
Somalgit;
Apesan;
Arusal;
Flexal;
Mioril;
Nospasm;
Relasom;
Somanil;
Artifar;
Brianil;
Calenfa;
Caprodat;
Caridolin;
Carisol;
Carlsodol;
Carlsoma;
Carlsoprol;
Carsodal;
Chinchen;
Diolene;
Domarax;
Fibrosona;
Flexagilt;
Flexagit;
Flexidon;
Isoprotan;
Izoprotan;
Mediquil;
Meprodat;
Mioriodol;
Neotica;
Somadril;
Stialgin;
Muslax;
Scutamil-C;
Rela;
Carsodol;
Miolisodol;
Flexartel

In Other Databases

Wikipedia Carisoprodol
ChemIDPlus 000078444
DrugBank APRD00417
PubChem 2576
ChemSpider 2478
ChEMBL CHEMBL1233
ChEBI CHEBI:3419
KEGG C07927; D00768