Baclofen

CAS Number: 1134-47-0

Molecular Mass: 213.66 g/mol

Formula: C₁₀H₁₂ClNO₂

Smiles: NCC(CC(=O)O)c1ccc(Cl)cc1

Synonymes:

Baclofen, baclofen, 1134-47-0, Lioresal, 4-Amino-3-(4-chlorophenyl)butanoic acid, Baclon, Kemstro, DL-Baclofen, Baclofene, Baclofeno, (+-)-Baclofen, 4-Amino-3-(4-chlorophenyl)butyric acid, Baclofenum, Baclophen, beta-(4-Chlorophenyl)gaba, Lioresal Intrathecal, (RS)-BACLOFEN, Ba-34647, Gablofen, Ciba 34,647-Ba, beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, Ba-34,647, DL-4-Amino-3-p-chlorophenylbutanoic acid, C 34647Ba, beta-(p-Chlorophenyl)-gamma-aminobutyric acid, Ba 34647, beta-(Aminomethyl)-p-chlorohydrocinnamic acid, gamma-Amino-beta-(p-chlorophenyl)butyric acid, FLEQSUVY, LYVISPAH, DTXSID5022641, Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, NSC-755906, OZOBAX, H789N3FKE8, CHEBI:2972, DTXCID002641, Chlorophenyl GABA, NSC329137, HYDROCINNAMIC ACID, beta-(AMINOMETHYL)-p-CHLORO-, Genpharm, ApoBaclofen, GenBaclofen, NuBaclo, Apo Baclofen, Gen Baclofen, PCP-GABA, PMSBaclofen, Nu Baclo, PMS Baclofen, AWD, Baclofen, GABA, Chlorophenyl, CIBA-34,647-BA, CIBA34,647BA, Ba34647, Ba34,647, M03BX01, Lyflex, Lioresal intrath, Baclofen Injection, Baclospas-10, Lioresal (baclofen), OZOBAX DS, Baclofen (Intrathecal), RefChem:5578, 4-amino-3-(4-chlorophenyl)-butanoic acid, (3RS)-4-Amino-3-(4-chlorophenyl)butanoic acid, 214-486-9, Gabalon, (+/-)-BACLOFEN, Baclofen (R,S), MFCD00055143, Butanoic acid, 4-amino-3-(4-chlorophenyl)-, CHEMBL701, Atrofen, Apo-Baclofen, NCGC00015156-11, (RS)-Amino-3-(4-chlorophenyl)butyric acid, M01382, Baclofene [INN-French], Baclofenum [INN-Latin], .beta.-(Aminomethyl)-p-chlorohydrocinnamic acid, Baclofeno [INN-Spanish], .beta.-(Aminomethyl)-4-chlorobenzenepropanoic acid, MFCD01321057, Lioresal (TN), Kemstro (TN), CCRIS 3722, SR-01000000107, EINECS 214-486-9, (+)-Baclofen, (L)-Baclofen, BRN 2104494, Baclofen, (3RS)-4-Amino-3-(4-chlorophenyl)butanoic acid, UNII-H789N3FKE8, baclofen o, IPX056, Baclofen CRS, IPX 056, (y)-Baclofen, Prestwick_85, CAS-1134-47-0, (?)-Baclofen, (R,S)-Baclofen, Baclofen (Standard), Baclofen [USAN:USP:INN:BAN:JAN], (A+/-)-Baclofen, ( inverted exclamation markA)-BACLOFEN, Spectrum_000066, BACLOFEN [USAN], BACLOFEN [INN], BACLOFEN [JAN], BACLOFEN [MI], BACLOFEN [VANDF], (.+/-.)-Baclofen, (.+/-.)-Baklofen, Prestwick0_000085, Prestwick1_000085, Prestwick2_000085, Prestwick3_000085, Spectrum2_000092, Spectrum3_000310, Spectrum4_000245, Spectrum5_000852, BACLOFEN [MART.], BACLOFEN [USP-RS], BACLOFEN [WHO-DD], Biomol-NT_000251, UPCMLD-DP142, B 5399, b-(4-Chlorophenyl)-GABA, Lopac0_000163, Oprea1_440627, SCHEMBL19333, BSPBio_000010, BSPBio_001880, KBioGR_000650, KBioSS_000466, Baclofen - Bio-X trade mark, MLS000028480, .beta.-(4-Chlorophenyl)gaba, DivK1c_000001, SPECTRUM1500135, Baclofen (JP18/USP/INN), Hydrocinnamic acid, .beta.-(aminomethyl)-p-chloro-, SPBio_000044, SPBio_001949, BACLOFEN [ORANGE BOOK], Benzenepropanoic acid, .beta.-(aminomethyl)-4-chloro-, BPBio1_000012, BPBio1_000750, GTPL1084, orb1309888, orb3139324, BACLOFEN [EP MONOGRAPH], (+/-)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, BACLOFEN [USP MONOGRAPH], UPCMLD-DP142:001, BDBM24182, HMS500A03, HY-B0007R, KBio1_000001, KBio2_000466, KBio2_003034, KBio2_005602, KBio3_001380, Baclofen 0.5 mg/ml in Methanol, NINDS_000001, GLXC-06867, HMS1568A12, HMS1920E21, HMS2091M03, HMS2095A12, HMS3260B07, HMS3712A12, Pharmakon1600-01500135, ( inverted question mark)-Baclofen, ALBB-014712, EX-A1378, HY-B0007, MSK10343, Tox21_110090, Tox21_500163, BBL010735, CCG-38910, CX1358, EBC-26219, HB0953, NSC755906, s4840, STK535284, AKOS005174692, Tox21_110090_1, AC-4530, DB00181, FB18127, HS-1001, LP00163, MB00475, NSC 755906, NSC-329137, SB67382, SDCCGSBI-0050151.P005, 4-Amino-3-(4-chlorophenyl)butanoicacid, 4-Amino-3-(p-chlorophenyl)butyric acid, IDI1_000001, SMP1_000036, NCGC00015156-04, NCGC00015156-05, NCGC00015156-06, NCGC00015156-07, NCGC00015156-08, NCGC00015156-12, NCGC00015156-13, NCGC00015156-15, NCGC00015156-26, NCGC00015156-28, NCGC00023843-03, NCGC00024579-03, NCGC00024579-04, NCGC00024579-05, NCGC00024579-06, NCGC00260848-01, BB166152, SMR000058294, ST075584, SY023865, SY052300, b-(Aminomethyl)-p-chlorohydrocinnamic acid, SBI-0050151.P004, (+/-)-Baclofen, >=98% (TLC), solid, 4-Amino-3-(4-chlorophenyl)butanoic acid #, AB00051921, B3343, EU-0100163, NS00007882, b-(Aminomethyl)-4-chloro-benzenepropanoic acid, Baclofen, 1mg/ml in Acetonitrile/Water : 1/1, D00241, EN300-118715, AB00051921_16, .beta.-(p-Chlorophenyl)-.gamma.-aminobutyric acid, .gamma.-Amino-.beta.-(p-chlorophenyl)butyric acid, 4-Amino-3-(4-chlorophenyl)butyric Acid, Baclofen, L000002, Q413717, SR-01000000107-2, SR-01000000107-4, SR-01000000107-6, SR-01000000107-8, (+/-)-ss-(Aminomethyl)-4-chlorobenzenepropanoic acid, BRD-A84174873-001-05-2, BRD-A84174873-003-07-4, (+/- )-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, Baclofen, British Pharmacopoeia (BP) Reference Standard, Baclofen, European Pharmacopoeia (EP) Reference Standard, F2173-1127, Baclofen Lioresal 4-Amino-3-(4-chlorophenyl)butyric acid, Baclofen, United States Pharmacopeia (USP) Reference Standard, Baclofen, Pharmaceutical Secondary Standard, Certified Reference Material

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1,4-Dioxane	288.15	-	1.31	[293]
1,4-Dioxane	293.15	-	1.426	[293]
1,4-Dioxane	298.15	-	1.577	[293]
1,4-Dioxane	303.15	-	1.747	[293]
1,4-Dioxane	308.15	-	1.946	[293]
1,4-Dioxane	313.15	-	2.179	[293]
1,4-Dioxane	318.15	-	2.43	[293]
1-Butanol	273.15	-	0.1363	[293]
1-Butanol	278.15	-	0.1448	[293]
1-Butanol	283.15	-	0.1558	[293]
1-Butanol	288.15	-	0.1666	[293]
1-Butanol	293.15	-	0.1792	[293]
1-Butanol	298.15	-	0.1937	[293]
1-Butanol	303.15	-	0.2094	[293]
1-Butanol	308.15	-	0.2236	[293]
1-Butanol	313.15	-	0.2391	[293]
1-Butanol	318.15	-	0.2566	[293]
1-Propanol	273.15	-	0.0751	[293]
1-Propanol	278.15	-	0.0873	[293]
1-Propanol	283.15	-	0.1002	[293]
1-Propanol	288.15	-	0.1158	[293]
1-Propanol	293.15	-	0.1316	[293]
1-Propanol	293.2	-	0.16	[292]
1-Propanol	298.15	-	0.152	[293]
1-Propanol	298.2	-	0.178	[292]
1-Propanol	303.15	-	0.1726	[293]
1-Propanol	303.2	-	0.1793	[292]
1-Propanol	308.15	-	0.1927	[293]
1-Propanol	308.2	-	0.22	[292]
1-Propanol	313.15	-	0.2137	[293]
1-Propanol	313.2	-	0.2301	[292]
1-Propanol	318.15	-	0.2441	[293]
Acetone	273.15	-	0.6837	[293]
Acetone	278.15	-	0.7003	[293]
Acetone	283.15	-	0.7254	[293]
Acetone	288.15	-	0.7546	[293]
Acetone	293.15	-	0.7928	[293]
Acetone	298.15	-	0.8344	[293]
Acetone	303.15	-	0.8732	[293]
Acetone	308.15	-	0.9159	[293]
Acetone	313.15	-	0.9603	[293]
Acetone	318.15	-	1.004	[293]
Dimethylacetamide	273.15	-	242.5	[293]
Dimethylacetamide	278.15	-	244.3	[293]
Dimethylacetamide	283.15	-	246.7	[293]
Dimethylacetamide	288.15	-	248.8	[293]
Dimethylacetamide	293.15	-	251.3	[293]
Dimethylacetamide	298.15	-	253.8	[293]
Dimethylacetamide	303.15	-	256.4	[293]
Dimethylacetamide	308.15	-	259.4	[293]
Dimethylacetamide	313.15	-	262.0	[293]
Dimethylacetamide	318.15	-	265.2	[293]
Dimethylformamide	273.15	-	313.9	[293]
Dimethylformamide	278.15	-	316.3	[293]
Dimethylformamide	283.15	-	319.6	[293]
Dimethylformamide	288.15	-	324.2	[293]
Dimethylformamide	293.15	-	329.2	[293]
Dimethylformamide	298.15	-	334.3	[293]
Dimethylformamide	303.15	-	339.6	[293]
Dimethylformamide	308.15	-	345.5	[293]
Dimethylformamide	313.15	-	351.3	[293]
Dimethylformamide	318.15	-	357.8	[293]
Ethanol	273.15	-	0.0729	[293]
Ethanol	278.15	-	0.08305	[293]
Ethanol	283.15	-	0.0953	[293]
Ethanol	288.15	-	0.1105	[293]
Ethanol	293.15	-	0.1246	[293]
Ethanol	293.2	-	0.119	[292]
Ethanol	298.15	-	0.1403	[293]
Ethanol	298.2	-	0.1518	[292]
Ethanol	303.15	-	0.1567	[293]
Ethanol	303.2	-	0.1763	[292]
Ethanol	308.15	-	0.175	[293]
Ethanol	308.2	-	0.1941	[292]
Ethanol	313.15	-	0.193	[293]
Ethanol	313.2	-	0.2181	[292]
Ethanol	318.15	-	0.2085	[293]
Ethyl acetate	273.15	-	9.282	[293]
Ethyl acetate	278.15	-	9.383	[293]
Ethyl acetate	283.15	-	9.497	[293]
Ethyl acetate	288.15	-	9.62	[293]
Ethyl acetate	293.15	-	9.783	[293]
Ethyl acetate	298.15	-	9.93	[293]
Ethyl acetate	303.15	-	10.1	[293]
Ethyl acetate	308.15	-	10.23	[293]
Ethyl acetate	313.15	-	10.42	[293]
Ethyl acetate	318.15	-	10.57	[293]
Isopropanol	273.15	-	0.0902	[293]
Isopropanol	278.15	-	0.1043	[293]
Isopropanol	283.15	-	0.1177	[293]
Isopropanol	288.15	-	0.1331	[293]
Isopropanol	293.15	-	0.1494	[293]
Isopropanol	293.2	-	0.1612	[292]
Isopropanol	298.15	-	0.1662	[293]
Isopropanol	298.2	-	0.1766	[292]
Isopropanol	303.15	-	0.1843	[293]
Isopropanol	303.2	-	0.211	[292]
Isopropanol	308.15	-	0.2036	[293]
Isopropanol	308.2	-	0.2222	[292]
Isopropanol	313.15	-	0.2242	[293]
Isopropanol	313.2	-	0.2417	[292]
Isopropanol	318.15	-	0.2455	[293]
Methanol	273.15	-	0.5915	[293]
Methanol	278.15	-	0.6229	[293]
Methanol	283.15	-	0.6629	[293]
Methanol	288.15	-	0.7052	[293]
Methanol	293.15	-	0.7554	[293]
Methanol	293.2	-	0.6488	[292]
Methanol	298.15	-	0.8018	[293]
Methanol	298.2	-	0.6869	[292]
Methanol	303.15	-	0.846	[293]
Methanol	303.2	-	0.73	[292]
Methanol	308.15	-	0.8974	[293]
Methanol	308.2	-	0.7615	[292]
Methanol	313.15	-	0.9553	[293]
Methanol	313.2	-	0.8908	[292]
Methanol	318.15	-	1.015	[293]
Methyl ethyl ketone	273.15	-	1.075	[293]
Methyl ethyl ketone	278.15	-	1.156	[293]
Methyl ethyl ketone	283.15	-	1.261	[293]
Methyl ethyl ketone	288.15	-	1.389	[293]
Methyl ethyl ketone	293.15	-	1.526	[293]
Methyl ethyl ketone	298.15	-	1.668	[293]
Methyl ethyl ketone	303.15	-	1.867	[293]
Methyl ethyl ketone	308.15	-	2.106	[293]
Methyl ethyl ketone	313.15	-	2.353	[293]
Methyl ethyl ketone	318.15	-	2.587	[293]
Propylene Glycol	293.2	-	0.6288	[292]
Propylene Glycol	298.2	-	0.7861	[292]
Propylene Glycol	303.2	-	0.9973	[292]
Propylene Glycol	308.2	-	1.221	[292]
Propylene Glycol	313.2	-	1.392	[292]
Toluene	273.15	-	11.1	[293]
Toluene	278.15	-	11.69	[293]
Toluene	283.15	-	12.29	[293]
Toluene	288.15	-	12.99	[293]
Toluene	293.15	-	13.63	[293]
Toluene	298.15	-	14.28	[293]
Toluene	303.15	-	15.0	[293]
Toluene	308.15	-	15.75	[293]
Toluene	313.15	-	16.47	[293]
Toluene	318.15	-	17.09	[293]

Molecule 3D descriptors

Descriptor	Value
PMI1	576.7026
PMI2	1511.7598
PMI3	1770.1517
NPR1	0.3258
NPR2	0.8540
RadiusOfGyration	3.0049
InertialShapeFactor	0.0015
Eccentricity	0.9454
Asphericity	0.3177
SpherocityIndex	0.5066
PBF	1.0123