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Phaclofen

Phaclofen structure

CAS No:
114012-12-3
Formula:
C9H13ClNO3P
Chemical Name:
Phaclofen
Synonyms:
Phosphonic acid,P-[3-amino-2-(4-chlorophenyl)propyl]-;Phosphonic acid,[3-amino-2-(4-chlorophenyl)propyl]-;P-[3-Amino-2-(4-chlorophenyl)propyl]phosphonic acid;Phaclofen;[3-Amino-2-(4-chlorophenyl)propyl]phosphonic acid;108351-35-5
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Phaclofen Basic Attributes

Molecular Weight：

249.63 g/mol

Exact Mass：

249.63

Characteristics

PSA：

83.6 Å²

Melting Point：

249-252 °C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Drugs that bind to but do not activate GABA RECEPTORS, thereby blocking the actions of endogenous GAMMA-AMINOBUTYRIC ACID and GABA RECEPTOR AGONISTS. (See all compounds classified as GABA Antagonists.)

MeSH Entry Terms：

beta-(4-chlorophenyl)-3-aminopropylphosphonic acid

Computed Properties

Molecular Weight:249.63
XLogP3:-2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:249.0321580
Monoisotopic Mass:249.0321580
Topological Polar Surface Area:83.6
Heavy Atom Count:15
Complexity:238
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 114012-12-3

Grade: Industrial Grade

Content: 99%

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