AG001DFU

145821-59-6 | 3-Piperidinecarboxylic acid, 1-[4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl]-, hydrochloride (1:1), (3R)-

AG001DFU

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CAS Number	145821-59-6
Catalog Number	AG001DFU(AGN-PC-0PXPYL)
Chemical Name	3-Piperidinecarboxylic acid, 1-[4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl]-, hydrochloride (1:1), (3R)-
IUPAC Name	(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid;hydrochloride
InChI	InChI=1S/C20H25NO2S2.ClH/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23;/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23);1H/t16-;/m1./s1
InChI Key	YUKARLAABCGMCN-PKLMIRHRSA-N
MDL Number	MFCD07369025
Molecular Formula	C20H26ClNO2S2
Molecular Weight	412.0089
SMILES	Cl.CC1=C(SC=C1)C(=CCCN1C[C@@H](CCC1)C(=O)O)C=1SC=CC1C
UNII	DQH6T6D8OY
Synonyms	(R)-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)-3-piperidinecarboxylic acid, hydrochloride, Gabitril, N-(4,4-di(3-methylthien-2-yl)but-3-enyl)nipecotic acid, NO 328, NO 329, NO-328, NO-329, tiagabine, Tiagabine Hydrochloride, tiagabine, (S)-isomer, Tiagabine hydrochloride, 145821-59-6, TIAGABINE HCl, Gabitril, Abbott 70569.HCl, NNC-05-0328, Tiagabine (hydrochloride), UNII-DQH6T6D8OY, Abbott-70569.1, TGB hydrochloride, NO-05-0328, Gabitril hydrochloride, NO328 hydrochloride, ABT 569, DQH6T6D8OY, NO050328 hydrochloride, ABT-569, ABBOTT-70569.HCL, (r)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride, CHEBI:85388, MFCD07369025, Gabitril (TN), (-)-(R)-1-(4,4-Bis(3-methyl-2-thienyl)-3-butenyl)nipecotic acid, hydrochloride, (-)-(R)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid hydrochloride, (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid hydrochloride, DSSTox_CID_24218, DSSTox_RID_80125, DSSTox_GSID_44218, (3R)-1-[4,4-Bis(3-methyl-2-thienyl)-3-buten-1-yl]-3-piperidinecarboxylic acid hydrochloride, (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride, 3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-buten-yl)-, hydrochloride, (R)-, 3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)-, hydrochloride, (R)-, CAS-145821-59-6, NO-328, NCGC00164626-01, Tiabex, Tiagabine hydrochloride [USAN], (-)-(R)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)nipecotic acid hydrochloride, AK155448, Tiagabine hydrochloride [USAN:USP], (R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid hydrochloride, tiagabine monohydrochloride, AC1L3LR1, CHEMBL1695, C20H26ClNO2S2, SCHEMBL41860, C20H25NO2S2.HCl, MLS001401367, Tiagabine hydrochloride (USP), Tiagabine hydrochloride, 98+%, DTXSID2044218, HY-B0696A, (3R)-1-[4,4-Bis(3-methyl-2-thienyl)-3-butenyl]-3-piperidinecarboxylic Acid Hydrochloride, YUKARLAABCGMCN-PKLMIRHRSA-N, (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid;hydrochloride, CEP-6671, KS-00000H6B, Tox21_112245, BG0438, NN-301, s4661, AKOS024258856, Tox21_112245_1, API0004405, CCG-100885, CS-2937, H03T543, KS-1217, NC00135, VC30712, NCGC00164626-02, AN-31388, CPD000469176, SAM001246625, SMR000469176, Tiagabine hydrochloride, >=98% (HPLC), AX8154082, LS-173258, ST2402069, 4CH-019728, FT-0675216, D02097, EN300-221591, A-70569, J-008159, Z2216208631, Tiagabine Hydrochloride 1.0 mg/ml in Methanol (as free base), (-)-(R)-1-[4,4-Bis(3- methyl-2-thienyl)-3-butenyl]nipecotic acid hydrochloride, (3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]-3-carboxypiperidinium chloride, (3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid hydrochloride, (3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride, (3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid monohydrochloride, 3-Piperidinecarboxylic acid, 1-[4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl]-, hydrochloride (1:1), (3R)-, Tiagabine hydrochloride solution, 1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material, tiagabine, Tiagabinehydrochloride, Abbott-70569, C20H25NO2S2.ClH, CID91274, C20-H25-N-O2-S2.Cl-H, ACN-034424, CS-T-44344, T3165, Tiagabine hydrochloride, 99% - 250MG 250mg, 115103-54-3,

Complexity	474
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	411.109g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	412.003g/mol
Monoisotopic Mass	411.109g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	97A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number