Carbamic acid, (1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester

• Formula: C₁₂H₂₄N₂O₄
• Molecular weight: 260.3300
• IUPAC Standard 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) Copy

  
• IUPAC Standard InChIKey: OFZCIYFFPZCNJE-UHFFFAOYSA-N Copy
• CAS Registry Number: 78-44-4
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Carisoprodol; Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester); Apesan; Atonalyt; Calenfa; Caprodat; Carisol; Carisoma; Carisoprodate; Carisoprodatum; Domarax; Flexal; Flexartal; Isobamate; Isomeprobamate; Isopropyl meprobamate; Isoprotan; Isoprotane; Isoprothane; Izoprotan; Miolisodal; Mioril; Relasom; RELA; Sanoma; Skutamil; Soma; Somadril; Somalgit; Stialgin; Arusal; Brianil; Carbamic acid, ester with 2-(hydroxymethyl)-2-methylpentylisopropyl carbamate; Carbamic acid, ester with 2-methyl-2-propyl-1,3-propanediol isopropylcarbamate; Carlsodol; Carlsoma; Carlsoprol; Carsodal; CB 8019; Diolene; Flexartel; Isopropylcarbamic acid, ester with 2-(hydroxymethyl)-2-methylpentyl carbamate; Mediquil; Mioartrina; Miolisodol; Mioratrina; Mioriodol; N-Isopropyl-2-methyl-2-propyl-1,3-propanediol, dicarbamate; Nospasm; NCI-C56235; Somanil; SCH 7307; Tonolyt isopropyl meprobamate; 1,3-Propanediol, 2-methyl-2-propyl-, carbamate isopropylcarbamate; 2-Methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate; Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2-methylpentyl ester carbamate; Carsodol; (1-Methylethyl)carbamic acid 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl ester; Cap-O-Tran; Coprobate; Meprobamate; Meprocon; Relax; Flibol E
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • IR Spectrum
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Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Lora-Tamayo, Rams, et al., 1986
Lora-Tamayo, C.; Rams, M.A.; Chacon, J.M.R., Gas Chromatographic Data for 187 Nitrogen- or Phosphorus-Containing Drugs and Metabolites of Toxicological Interest Analysed on Methyl Silicone Capillary Columns, J. Chromatogr., 1986, 374, 73-85, https://doi.org/10.1016/S0378-4347(00)83254-5 . [all data]

Christ, Noomano, et al., 1988
Christ, D.W.; Noomano, P.; Rosas, M.; Rhone, D., Retention indices by wide-bore capillary gas chromatography with nitrogen-phosphorus detection, J. Anal. Toxicol., 1988, 12, 2, 84-88, https://doi.org/10.1093/jat/12.2.84 . [all data]

Perrigo, Peel, et al., 1985
Perrigo, B.J.; Peel, H.W.; Ballantyne, D.J., Use of Dual-Column Fused-Silica Capillary Gas Chromatography in Combination with Detector Response Factors for Analytical Toxicology., J. Chromatogr., 1985, 341, 81-88, https://doi.org/10.1016/S0378-4347(00)84011-6 . [all data]

Perrigo, Ballantyne, et al., 1984
Perrigo, B.J.; Ballantyne, D.J.; Peel, H.W., Condierations in developing a data base for drugs on a DBI capillary column, J. Can. Soc. Forensic Sci., 1984, 17, 2, 41-49, https://doi.org/10.1080/00085030.1984.10757360 . [all data]

Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W., The use of retention indices and temperature-programmed gas chromatography in analytical toxicology, J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219 . [all data]

Tret'yakov, 2008
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Anderson and Fuller, 1987
Anderson, W.H.; Fuller, D.C., A simplified procedure for the isolation, characterization, and identification of weak acid and neutral drugs from whole blood, J. Anal. Toxicol., 1987, 11, 5, 198-204, https://doi.org/10.1093/jat/11.5.198 . [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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