SAFS | forendex | (/S)-3-(Aminomethyl)-5-methylhexanoic acid

CSA Names:	(S)-3-(Aminomethyl)-5-methylhexanoic acid Pregabalin
CSA Location:	Schedule V Section (e) Subsection (3) DEA code 2782
CSA History:	70 FR 25502 proposed to add on 13 May 2005 70 FR 43633 added effective 28 Jul 2005
Names:	(3S)-3-(Aminomethyl)-5-methylhexanoic acid (IUPAC)
Molecular formula:	C8H17NO2
Nominal mass:	159
Average mass:	159.2261
Monoisotopic mass:	159.125929
CAS registry number:	148553-50-8
ChemSpider:	3902475
PubChem:	5486971
Wikipedia:	Pregabalin
Erowid:	Pregabalin
Drugs-Forum:	Pregabalin
Bluelight:	Pregabalin
Standard InChI:	InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
Standard InChI key:	AYXYPKUFHZROOJ-UHFFFAOYSA-N
SMILES:	NCC(CC(=O)O)CC(C)C
Tags:	USCSA

Property	Value	Remarks
Property	Value	Remarks

Location	Type	Remarks
pregabalin atr.pdf	ATR IR	Thermo Nicolet
pregabalin ms.pdf	EI MS	Agilent MSD

Vendor	ID	URL
Cerilliant	P-066	http://www.cerilliant.com/shoponline/Item_Details.aspx?itemno=fc6c3e8c-d872-422a-9d93-8127a4f591b3
LGC	MM1376.01	http://www.lgcstandards.com/epages/LGC.sf/en_GB/?ObjectPath=/Shops/LGC/Products/MM1376.01
Lipomed	PRE-1475	http://www.lipomed.com/index.php?eid=418§ion=mediadir&cmd=detail
Sigma Aldrich	PZ0010	http://www.sigmaaldrich.com/catalog/product/sigma/pz0010?lang=en®ion=US
Tocris Bioscience	3775	http://www.tocris.com/dispprod.php?ItemId=243850&Controlled
Toronto Research Chemicals	P704790	http://www.trc-canada.com/detail.php?CatNum=P704790
Toronto Research Chemicals	P704800	http://www.trc-canada.com/detail.php?CatNum=P704800

Title	Publication	Date	Vol. Iss. Page(s)	Remarks
Title	Publication	Date	Vol. Iss. Page(s)	Remarks

Database	ID	URL
SWGDRUG Mass Spectral Library	1865	http://www.swgdrug.org/ms.htm
Mass Spectra of Designer Drugs 2014
NIST/EPA/NIH Mass Spectral Library 2011
Wiley Registry of Mass Spectral Data, 10th Edition
Mass Spectral Library of Drugs, Poisons, Pesticides, Pollutants