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Bacmecillinam

Bacmecillinam structure

CAS No:
50846-45-2
Formula:
C20H31N3O6S
Chemical Name:
Bacmecillinam
Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,1-[(ethoxycarbonyl)oxy]ethyl ester,(2S,5R,6R)-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,1-[(ethoxycarbonyl)oxy]ethyl ester,[2S-(2α,5α,6β)]-;Bacmecillinam;KW 1100
Categories:
Active Pharmaceutical Ingredients > Antibiotics

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Bacmecillinam Basic Attributes

Molecular Weight：

441.546

Exact Mass：

441.54

Characteristics

PSA：

123

XLogP3：

2.25970

Density：

1.36g/cm3

Boiling Point：

578.2ºC at 760mmHg

Flash Point：

303.5ºC

Refractive Index：

1.612

Safety Information

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36

Marks：

Drug Information

MeSH Entry Terms：

bacmecillinam

Computed Properties

Molecular Weight:441.5
XLogP3:2.9
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:441.19335689
Monoisotopic Mass:441.19335689
Topological Polar Surface Area:123
Heavy Atom Count:30
Complexity:692
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes