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Saclofen

Saclofen structure

CAS No:
125464-42-8
Formula:
C9H12ClNO3S
Chemical Name:
Saclofen
Synonyms:
Benzeneethanesulfonic acid,β-(aminomethyl)-4-chloro-;β-(Aminomethyl)-4-chlorobenzeneethanesulfonic acid;Saclofen;3-Amino-2-(4-chlorophenyl)propane-1-sulfonic acid;134589-60-9
Categories:
Organic Chemistry > Amides

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Description

3-amino-2-(4-chlorophenyl)-1-propanesulfonic acid is an organochlorine compound.

Saclofen Basic Attributes

Molecular Weight：

249.71

Exact Mass：

249.71

HScode：

2921499090

Characteristics

PSA：

88.8

XLogP3：

-1.7

Appearance：

white solid

Density：

1.437±0.06 g/cm3

Melting Point：

310-315 °C (decomp)

Refractive Index：

1.600

Water Solubility：

0.1 M NaOH: 20 mg/mL

Storage Conditions：

Store at RT

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

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：

3-amino-2-(4-chlorophenyl)propane-1-sulfonic acid

Saclofen Use and Manufacturing

Selective antagonist at GABA B receptors.

Computed Properties

Molecular Weight:249.72
XLogP3:-1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:249.0226421
Monoisotopic Mass:249.0226421
Topological Polar Surface Area:88.8
Heavy Atom Count:15
Complexity:280
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Amino-2-(4-chlorophenyl)propane-1-sulfonic acid

CAS No.: 125464-42-8

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