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Baclofen

PubChem CID: 2284

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Compound Synonyms baclofen, 1134-47-0, Lioresal, 4-Amino-3-(4-chlorophenyl)butanoic acid, Baclon, Kemstro, DL-Baclofen, Baclofene, Baclofeno, Gabalon, (+-)-Baclofen, Baclofenum, Baclophen, Lioresal Intrathecal, (RS)-BACLOFEN, beta-(4-Chlorophenyl)gaba, 4-Amino-3-(4-chlorophenyl)butyric acid, Gablofen, Ciba 34,647-Ba, (+/-)-BACLOFEN, DL-4-Amino-3-p-chlorophenylbutanoic acid, Ba-34647, beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, C 34647Ba, beta-(p-Chlorophenyl)-gamma-aminobutyric acid, Ba 34647, Baclofene [INN-French], Baclofenum [INN-Latin], Baclofeno [INN-Spanish], Ba-34,647, beta-(Aminomethyl)-p-chlorohydrocinnamic acid, gamma-Amino-beta-(p-chlorophenyl)butyric acid, Baclofen (R,S), FLEQSUVY, LYVISPAH, CCRIS 3722, Butanoic acid, 4-amino-3-(4-chlorophenyl)-, EINECS 214-486-9, UNII-H789N3FKE8, MFCD00055143, NSC-755906, BRN 2104494, OZOBAX, CHEBI:2972, H789N3FKE8, IPX056, DTXSID5022641, Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, IPX 056, C10H12ClNO2, CHEMBL701, DTXCID002641, Atrofen, Apo-Baclofen, Chlorophenyl GABA, NSC329137, Baclofen [USAN:USP:INN:BAN:JAN], NSC 755906, HYDROCINNAMIC ACID, beta-(AMINOMETHYL)-p-CHLORO-, 4-Amino-3-(p-chlorophenyl)butyric acid, NCGC00015156-11, Baclofene (INN-French), Baclofenum (INN-Latin), (RS)-Amino-3-(4-chlorophenyl)butyric acid, Baclofeno (INN-Spanish), PCP-GABA, BACLOFEN (MART.), BACLOFEN [MART.], BACLOFEN (USP-RS), BACLOFEN [USP-RS], .beta.-(Aminomethyl)-p-chlorohydrocinnamic acid, .beta.-(Aminomethyl)-4-chlorobenzenepropanoic acid, GABA, Chlorophenyl, BACLOFEN (EP MONOGRAPH), BACLOFEN [EP MONOGRAPH], BACLOFEN (USP MONOGRAPH), BACLOFEN [USP MONOGRAPH], Baclofen (USAN:USP:INN:BAN:JAN), Lioresal (TN), Kemstro (TN), SR-01000000107, (+)-Baclofen, (L)-Baclofen, M03BX01, Baclofen, (3RS)-4-Amino-3-(4-chlorophenyl)butanoic acid, baclofen o, MFCD01321057, Baclofen Injection, (y)-Baclofen, Prestwick_85, CAS-1134-47-0, (?)-Baclofen, (R,S)-Baclofen, Lioresal (baclofen), Baclofen (Standard), (A+/-)-Baclofen, ( inverted exclamation markA)-BACLOFEN, Baclofen (Intrathecal), 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 [WHO-DD], Biomol-NT_000251, UPCMLD-DP142, 4-AMINO-3(4-CHLOROPHENYL)BUTYRIC ACID, B 5399, 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, BETA-P-CHLOROPHENYL-GABA, (+/-)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, CIBA BA 34647, 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, HMS1568A12, HMS1920E21, HMS2091M03, HMS2095A12, HMS3260B07, HMS3712A12, Pharmakon1600-01500135, ( inverted question mark)-Baclofen, ALBB-014712, BCP11844, BCP32777, EX-A1378, HY-B0007, Tox21_110090, Tox21_500163, BBL010735, CCG-38910, CX1358, HB0953, NSC755906, s4840, STK535284, AKOS005174692, Tox21_110090_1, AC-4530, DB00181, FB18127, HS-1001, LP00163, MB00475, NSC-329137, SB67382, SDCCGSBI-0050151.P005, 4-Amino-3-(4-chlorophenyl)butanoicacid, 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, SY023865, SY052300, 4-amino-3-(4-chlorophenyl)-butanoic acid, SBI-0050151.P004, (+/-)-Baclofen, >=98% (TLC), solid, 4-Amino-3-(4-chlorophenyl)butanoic acid #, AB00051921, B3343, EU-0100163, NS00007882, beta-(4-chlorophenyl)-gamma-aminobutyric acid, Baclofen, 1mg/ml in Acetonitrile/Water : 1/1, D00241, EN300-118715, M01382, (RS)-4-Amino-3-(4-chlorophenyl)buta noic acid, AB00051921_16, (3RS)-4-Amino-3-(4-chlorophenyl)butanoic acid, .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, STX209, STX-209, STX 209, D-Baclofen, Arbaclofen, Baclofen Lioresal 4-Amino-3-(4-chlorophenyl)butyric acid, Baclofen, United States Pharmacopeia (USP) Reference Standard, Baclofen, Pharmaceutical Secondary Standard, Certified Reference Material, ?-(Aminomethyl)-4-chloro-benzenepropanoic acid, ?-(Aminomethyl)-p-chlorohydrocinnamic acid, ?-(4-Chlorophenyl)-GABA, 214-486-9, b-(Aminomethyl)-4-chloro-benzenepropanoic acid, b-(Aminomethyl)-p-chlorohydrocinnamic acid, b-(4-Chlorophenyl)-GABA
Topological Polar Surface Area 63.3
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 14.0
Isotope Atom Count 0.0
Molecular Complexity 191.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id O75899, Q9ES14, O88871, Q9NY46, O15245, Q969S8, P02545, P19838, Q9F4F7, P54132, P08684, n.a., Q16236, Q92830, P21728, Q96KQ7, O15648, Q96QE3, O89049, P49798, Q9R1U7, P63138, Q9Y6L6, Q9NPD5, O95342, Q92887, O15438, O15439, P0DTD1
Iupac Name 4-amino-3-(4-chlorophenyl)butanoic acid
Prediction Hob 1.0
Target Id NPT483, NPT163, NPT58, NPT109
Xlogp -1.0
Molecular Formula C10H12ClNO2
Prediction Swissadme 0.0
Inchi Key KPYSYYIEGFHWSV-UHFFFAOYSA-N
Fcsp3 0.3
Logs -1.395
Rotatable Bond Count 4.0
Logd 1.02
Compound Name Baclofen
Prediction Hob Swissadme 0.0
Exact Mass 213.056
Formal Charge 0.0
Monoisotopic Mass 213.056
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 213.66
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -0.6130596571428568
Inchi InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Smiles C1=CC(=CC=C1C(CC(=O)O)CN)Cl
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Cuscuta Europaea (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Olea Dioica (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Olea Europaea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Olea Ferruginea (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Olea Glandulifera (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Plumbago Europaea (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Sanicula Europaea (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Tilia Europaea (Plant) Rel Props:Reference:
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