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«Barbituric acid»
Barbituric acid
CSA Names: Barbituric acid
CSA Location: Schedule III Section (c) Subsection (3) DEA code 2100
CSA History: 38 FR 31310 replacement for “[Reserved]” effective 13 Nov 1973
Names: Barbituric acid (IUPAC traditional)
1,3-Diazinane-2,4,6-trione (IUPAC preferred; IUPAC systematic)
Hexahydropyrimidine-2,4,6-trione (IUPAC allowed; IUPAC CAS-like)
Pyrimidine-2,4,6(1H,3H,5H)-trione (IUPAC ACD/Name)
Molecular formula: C4H4N2O3
Nominal mass: 128
Average mass: 128.0862
Monoisotopic mass: 128.022192
CAS registry number: 117491-80-2
ChemSpider: 5976
PubChem: 6211
Wikipedia: Barbituric acid
Erowid: Barbiturates
Standard InChI: InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
Standard InChIKey: HNYOPLTXPVRDBG-UHFFFAOYSA-N
SMILES: C1C(=NC(=O)N=C1O)O
Tags: USCSA
 
Property Value Remarks
Property Value Remarks
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Vinbarbital atr.pdf ATR IR Thermo Nicolet
Thiopental atr.pdf ATR IR Thermo Nicolet
metharbital atr.pdf ATR IR Thermo Nicolet
hexobarbital.pdf ATR IR Thermo Nicolet
butalbital.pdf ATR IR Thermo Nicolet
butabarbital.pdf ATR IR Thermo Nicolet
barbituric acid.pdf ATR IR Thermo Nicolet
aprobarbital.pdf ATR IR Thermo Nicolet
Alphenal.pdf ATR IR Thermo Nicolet
5-nitrobarbituric acid.pdf ATR IR Thermo Nicolet
Talbutal atr.pdf ATR IR Thermo Nicolet
Hexobarbital.png EI MS Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Methohexital.png EI MS Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Mephobarbital.PNG EI MS Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Cyclopentobarbital.PNG EI MS Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
5,5-di-n-propylbarbituric acid.pdf EI MS Agilent MSD
Butethal.PNG EI MS Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
allobarbital ms.pdf EI MS Agilent MSD
alphenal ms.pdf EI MS Agilent MSD
aprobarbital ms.pdf EI MS Agilent MSD
thiopental.pdf EI MS Agilent MSD
vinylbital.pdf EI MS Agilent MSD
talbutal.pdf EI MS Agilent MSD
Hexobarbital.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Cyclopentobarbital IRD.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Metharbital IRD.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Allobarbital IRD.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Thiopental IRD.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Thiamylal IRD.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Butethal IRD.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Butabarbital.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Mephobarbital.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Methohexital.png GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Butalbital.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Talbutal IRD.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
barbituric acid-raman.pdf Raman GBI DOFS
allobarbital.pdf Raman GBI DOFS
Vendor ID URL
Cerilliant Hexobarbital (H-013) http://www.cerilliant.com/shoponline/Item_Details.aspx?itemno=dcd4a876-5cbf-4820-bf55-c4872224111b
Cerilliant Butalbital (B-006) http://www.cerilliant.com/shoponline/Item_Details.aspx?itemno=652322ca-888e-47c7-b09d-bceaf59ddc13
Grace Davison (Alltech) Butabarbital (01103) http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Grace Davison (Alltech) Hexobarbital (01330) http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Grace Davison (Alltech) Allobarbital (01167) http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Grace Davison (Alltech) Thiopental (01447) http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Grace Davison (Alltech) Butalbital (01027) http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Grace Davison (Alltech) Metharbital (01369) http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Grace Davison (Alltech) Alphenal (01032) http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Grace Davison (Alltech) Butethal (01104) http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Grace Davison (Alltech) Talbutal (01453) http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Grace Davison (Alltech) Aprobarbital (01055) http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Grace Davison (Alltech) Cyclopentobarbital (01627) http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Grace Davison (Alltech) Thiamylal (01732) http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Lipomed Hexobarbital (HXB-936) http://www.lipomed.com/diagnostics/ref/?HXB-936
Lipomed Thiopental (TPT-1099-FA) http://www.lipomed.com/diagnostics/ref/?TPT-1099-FA
Lipomed Allobarbital (ALB-403-FA) http://www.lipomed.com/diagnostics/ref/?ALB-403-FA
Lipomed Butabarbital (BTB-938-FA) http://www.lipomed.com/diagnostics/ref/?BTB-938-FA
Sigma Aldrich Hexobarbital (H1005) http://www.sigmaaldrich.com/catalog/ProductDetail.do?lang=en&N4=H1005|FLUKA&N5=SEARCH_CONCAT_PNO|BRAND_KEY&F=SPEC
Sigma Aldrich Thiopental (T1019) http://www.sigmaaldrich.com/catalog/ProductDetail.do?lang=en&N4=T1019|SIGMA&N5=SEARCH_CONCAT_PNO|BRAND_KEY&F=SPEC
Sigma Aldrich Barbituric Acid (11709) http://www.sigmaaldrich.com/catalog/ProductDetail.do?lang=en&N4=11709|FLUKA&N5=SEARCH_CONCAT_PNO|BRAND_KEY&F=SPEC
Sigma Aldrich Butalbital (B6638) http://www.sigmaaldrich.com/catalog/ProductDetail.do?lang=en&N4=B6638|FLUKA&N5=SEARCH_CONCAT_PNO|BRAND_KEY&F=SPEC
Toronto Research Chemicals Narcobarbital (N378800) http://www.trc-canada.com/detail.php?CatNum=N378800
Toronto Research Chemicals Thiopental (T344800) http://www.trc-canada.com/detail.php?CatNum=T344800
Toronto Research Chemicals Aprobarbital (A735400) http://www.trc-canada.com/detail.php?CatNum=A735400
Toronto Research Chemicals Cyclobarbital (C987775) http://www.trc-canada.com/detail.php?CatNum=C987775
U.S. Pharmacopeia Hexobarbital (1307003) http://store.usp.org/OA_HTML/ibeCCtpItmDspRte.jsp?a=b&item=18941
U.S. Pharmacopeia Metharbital (1405002) http://store.usp.org/OA_HTML/ibeCCtpItmDspRte.jsp?a=b&item=19131
U.S. Pharmacopeia Butabarbital (1079000) http://store.usp.org/OA_HTML/ibeCCtpItmDspRte.jsp?a=b&item=18502
U.S. Pharmacopeia Thiopental (1661002) http://store.usp.org/OA_HTML/ibeCCtpItmDspRte.jsp?a=b&item=19559
U.S. Pharmacopeia Butalbital (1081002) http://store.usp.org/OA_HTML/ibeCCtpItmDspRte.jsp?a=b&item=18504
Title Publication Date Vol. Iss. Page(s) Remarks
Title Publication Date Vol. Iss. Page(s) Remarks
Database ID URL
SWGDRUG Mass Spectral Library 1559 http://www.swgdrug.org/ms.htm
Clarke's Analysis of Drugs and Poisons 3rd Edition Pg 671
Instrumental Data for Drug Analysis 3rd Edition Vol 1 Pg 252
Mass Spectra of Designer Drugs 2010
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