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Chlorphenesin Carbamate

CAT: 0013-GTR19201755-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201755-01Size:25 mg
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Description
Chlorphenesin Carbamate is a dual-action small molecule functioning as a centrally acting muscle relaxant and an antifungal agent. It is utilized in research to investigate mechanisms of muscle spasm relief and fungal inhibition in both in vitro and in vivo experimental models.
CAS Number
886-74-8
Field of Research
Pharmacology & Drug Discovery
Purity
99.96% (May vary between batches)
Smiles
O=C (OCC (O) COC1=CC=C (Cl) C=C1) N
Molecular Formula
C10H12ClNO4
Molecular Weight
245.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chlorphenesin Carbamate

Chlorphenesin carbamate is the carbamate ester of the primary hydroxy group of chlorphenesin. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm. It has a role as a muscle relaxant. It is a carbamate ester, a secondary alcohol and a member of monochlorobenzenes. It is functionally related to a carbamic acid and a chlorphenesin.

CAS Number886-74-8
PubChem CID2724
IUPAC Name[3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
Molecular FormulaC10H12ClNO4
Molecular Weight245.66
XLogP1.2
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity219
SMILES
C1=CC(=CC=C1OCC(COC(=O)N)O)Cl
InChI
InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)
InChIKey
SKPLBLUECSEIFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorphenesin Carbamate
CAS: 886-74-8
CID: 2724
Formula: C10H12ClNO4
MW: 245.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.66
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass245.0454856
Monoisotopic Mass245.0454856
Topological Polar Surface Area81.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity219
Isotope Atom Count0
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
FC177233-01Chlorphenesin carbamate
AR-C07233-01Chlorphenesin Impurity 2 (Chlorphenesin Carbamate)
HY-107944R-01Chlorphenesin carbamate (Standard)
AR-C02509-01Chlorphenesin Carbamate Isomer
CS-O-06279Chlorphenesin

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