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Sch 40458

Sch 40458 structure

CAS No:
76639-93-5
Formula:
C10H14FNO3S
Chemical Name:
Sch 40458
Synonyms:
Sch 40458;florfenicol amine;(αR)-α-[(1S)-1-Amino-2-fluoroethyl]-4-(methylsulfonyl)benzenemethanol;D-(?)-threo-2-Amino-3-fluoro-1-[4-(methylsulfonyl)phenyl]-1-propanol
Categories:
Analytical Chemistry > Standard

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Sch 40458 Basic Attributes

Molecular Weight：

247.2864632

Exact Mass：

247.06800

DSSTox ID：

DTXSID30227460

Characteristics

PSA：

88.8

XLogP3：

2.20140

Density：

1.313±0.06 g/cm3(Predicted)

Collision Cross Section：

164.18 Å² [M+H]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

florfenicol amine

Sch 40458 Use and Manufacturing

Florfenicol amine is the 4-methylsulphonophenylpropylamine parent compound formed by hydrolysing the dichloroacetamide of florfenicol. Florfenicol amine is a metabolite and degradation product of florfenicol. Florfenicol amine has no antibiotic activity but is an important standard for monitoring animal and environmental residues of florfenicol.

Computed Properties

Molecular Weight:247.29
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:247.06784264
Monoisotopic Mass:247.06784264
Topological Polar Surface Area:88.8
Heavy Atom Count:16
Complexity:307
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Florfenicol amine rich stock

CAS No.: 76639-93-5

Grade: Industrial Grade

Content: 99.9%

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