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Baclofen D4 (2,2,4,4-D4)

CAT: 1459-CS-T-48544Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-48544Size:1 Each
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Description
Baclofen D4 (2,2,4,4-D4) is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Baclofen. The product is supplied by Clearsynth under CAT No. CS-T-48544. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
70155-52-1
Synonyms
Baclofen D4 (2,2,4,4-D4)
Molecular Formula
C 10 H 8 D 4 ClNO 2
Molecular Weight
217.69
Additionnal Information
Baclofen D4 (2,2,4,4-D4) is supplied with detailed characterization data compliant with regulatory guideline. Baclofen D4 (2,2,4,4-D4) can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Baclofen.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Baclofen-d4 (Major)
CAS Number70155-52-1
PubChem CID131667624
IUPAC Name4-amino-3-(4-chlorophenyl)-2,2,4,4-tetradeuteriobutanoic acid
Molecular FormulaC10H12ClNO2
Molecular Weight217.68
XLogP-1
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity191
SMILES
[2H]C([2H])(C(C1=CC=C(C=C1)Cl)C([2H])([2H])N)C(=O)O
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)/i5D2,6D2
InChIKey
KPYSYYIEGFHWSV-NZLXMSDQSA-N
Chemical Structure
2D Structure
2D structure of Baclofen-d4 (Major)
CAS: 70155-52-1
CID: 131667624
Formula: C10H12ClNO2
MW: 217.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.68
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass217.0807633
Monoisotopic Mass217.0807633
Topological Polar Surface Area63.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity191
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
ESS0479-01(±) -Baclofen-d4 (4-chlorophenyl-d4)
sc-217694ABaclofen-d4
TRC-B108001-25MGBaclofen-d4,15N
AR-B05911-01(R) -Baclofen-d4
TRC-B108003-1MGBaclofen-d4 (Major)
TRC-B107992-25MG(R)-Baclofen-d4
HY-W707498-01Baclofen-d4-1
TRC-B107997-25MG(S)-Baclofen-d4
AR-B08231-01(S) -Baclofen-d4
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