 Home > Encyclopedia > 2-(Diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

2-(Diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

2-(Diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate structure

CAS No:
56211-43-9
Formula:
C23H33N3O6S
Chemical Name:
2-(Diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-,2-(diethylamino)ethyl ester,(2S,5R,6R)-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-,2-(diethylamino)ethyl ester,[2S-(2α,5α,6β)]-;2-(Diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;Methicillin 2-(diethylamino)ethyl ester;DAN 523;Tameticillin

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2-(Diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Basic Attributes

Molecular Weight：

479.59000

Exact Mass：

479.59

UNII：

11MX0V916W

DSSTox ID：

DTXSID00204768

Characteristics

PSA：

126.20000

XLogP3：

2.26220

Density：

1.28g/cm3

Boiling Point：

644.5ºC

Flash Point：

343.6ºC

Refractive Index：

1.589

Drug Information

MeSH Entry Terms：

methicillin diethylaminoethyl ester

Computed Properties

Molecular Weight:479.6
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:479.20900695
Monoisotopic Mass:479.20900695
Topological Polar Surface Area:123
Heavy Atom Count:33
Complexity:719
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(Diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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