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Clometocillin

Clometocillin structure

CAS No:
1926-49-4
Formula:
C17H18Cl2N2O5S
Chemical Name:
Clometocillin
Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[2-(3,4-dichlorophenyl)-2-methoxyacetyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[2-(3,4-dichlorophenyl)-2-methoxyacetamido]-3,3-dimethyl-7-oxo-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(3,4-dichlorophenyl)methoxyacetyl]amino]-3,3-dimethyl-7-oxo-,[2S-(2α,5α,6β)]-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(3,4-dichlorophenyl)methoxyacetyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-;(2S,5R,6R)-6-[[2-(3,4-Dichlorophenyl)-2-methoxyacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;Clometocillin;(3,4-Dichloro-α-methoxybenzyl)penicillin;6-[2-(3,4-Dichlorophenyl)-2-methoxyacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]-heptane-2-carboxylic acid;Rixapen;Clomethocillin;Clomethacillin;Clometacillin;DL-Clometocillin;Clometicillin;Penicillin 3566;96505-61-2;16110-31-9
Categories:
Active Pharmaceutical Ingredients > Antibiotics

Description

ChEBI: A penicillin that is benzylpenicillin in which the phenylacetyl group has been replaced by a (3,4-dichlorophenyl)(methoxy)acetyl group. It is a mixture of epimers at the methoxy-bearing carbon.

Clometocillin is a penicillin that is benzylpenicillin in which the phenylacetyl group has been replaced by a (3,4-dichlorophenyl)(methoxy)acetyl group. It is a mixture of epimers at the methoxy-bearing carbon. It has a role as an antibacterial drug. It is a penicillin, a semisynthetic derivative and a dichlorobenzene.

Clometocillin Basic Attributes

Molecular Weight：

433.31

Exact Mass：

433.31

EC Number：

217-657-6

DSSTox ID：

DTXSID20172859

ATC Code：

J - Antiinfectives for systemic use

Characteristics

PSA：

121

XLogP3：

2.64140

Density：

1.54g/cm3

Boiling Point：

693.1ºC at 760mmHg

Flash Point：

373ºC

Refractive Index：

1.652

Vapor Pressure：

3.6E-20mmHg at 25°C

Drug Information

MeSH Entry Terms：

clometacillin

Computed Properties

Molecular Weight:433.3
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:432.0313482
Monoisotopic Mass:432.0313482
Topological Polar Surface Area:121
Heavy Atom Count:27
Complexity:649
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes