Basic information
- CAS
63701-55-3- Standard SMILES
Cl.NC[C@H](CC(=O)O)c1ccc(Cl)cc1- InChIKey
WMNUVYYLMCMHLU-QRPNPIFTSA-N- Molecular formula
- C10H13Cl2NO2
- Average molar mass
- 250.12 g/mol
- Monoisotopic mass
- 249.03233402
Names & identifiers
- Preferred name
- Arbaclofen Hydrochloride
- IUPAC
- (3R)-4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride
- English name
- R(+)-Baclofen.Hydrochloride
- Molecular formula
- C10H13Cl2NO2
- Molecular weight
- 250.12
Names & synonyms
63701-55-3Arbaclofen hydrochloride(R)-Baclofen hydrochlorided-Baclofen hydrochlorideArbaclofen HCl(+)-Baclofen hydrochloride(R)-Baclofen monohydrochlorideUNII-8703929ITD8703929ITD(R)-4-amino-3-(4-chlorophenyl)butanoic acid hydrochloride(+)-R-3-(p-Chlorophenyl)-4-aminobutanoic acid hydrochlorideDTXSID40213112
Show more names
R(+)-BACLOFEN HCLSTX-209 HYDROCHLORIDEd-baclofenhydrochlorideR(+)-BACLOFEN HYDROCHLORIDE(+)-Baclofen (hydrochloride)(r)-baclofenmonohydrochlorideArbaclofen hydrochloride saltBaclofen (R)-(+)- hydrochlorideR(+)-BACLOFENHYDROCHLORIDE(FORR&DONLY)
BACLOFEN HYDROCHLORIDE, R-Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, hydrochloride, (R)-HYDROCINNAMIC ACID, beta-(AMINOMETHYL)-p-CHLORO-, HYDROCHLORIDE, (R)-BACLOFEN HYDROCHLORIDE, (R)-BACLOFEN HYDROCHLORIDE, R(-)-BACLOFEN (R)-FORM HYDROCHLORIDE [MI]BENZENEPROPANOIC ACID, .BETA.-(AMINOMETHYL)-4-CHLORO-, HYDROCHLORIDE (1:1), (.BETA.R)-RefChem:113717
Database identifiers
- CAS
63701-55-3- PubChem CID
- 44601
- DTXSID
DTXSID40213112- UNII
- 8703929ITD
- EC Number
- 814-722-6
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 220 · 220~222℃
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20 mg/mL · DMSO: >20 mg/mL
- form
- solid
- color
- white
- optical activity
- 28 · [α]28/D +3.8°, c = 0.9 in methanol(lit.)
- InChI
- 1S/C10H12ClNO2.ClH/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H/t8-;/m0./s1
- InChIKey
- WMNUVYYLMCMHLU-QRPNPIFTSA-N
- SMILES
- Cl[H].NC[C@H](CC(O)=O)c1ccc(Cl)cc1
- FDA UNII
- 8703929 ITD · 8703929ITD
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 32 · NA.32
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 24 · 24/25
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 5084350 · MW5084350
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- MW5084350
- ridadr
- UN 2811 6.1/PG 3
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesR(+)-Baclofen.Hydrochloride is a derivative of gamma-aminobutyric acid primarily used to treat spasticity.
Suppliers22 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Musechem+1-800-259-7612 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
2 records
Compound notes
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