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Cephradine dihydrate

Cephradine dihydrate structure

CAS No:
31828-50-9
Formula:
C16H19N3O4S.2H2O
Chemical Name:
Cephradine dihydrate
Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-2-amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino]-3-methyl-8-oxo-,hydrate (1:2),(6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[2-amino-2-(1,4-cyclohexadien-1-yl)acetamido]-3-methyl-8-oxo-,hydrate,D-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-amino-1,4-cyclohexadien-1-ylacetyl]amino]-3-methyl-8-oxo-,dihydrate,(6R,7R)-;Cephradine hydrate;Cefradin hydrate;Sefril hydrate;Velosef hydrate;Cephradine dihydrate;Cefradine dihydrate;58456-86-3
Categories:
Active Pharmaceutical Ingredients > Antibiotics

Description

Cephradine Dihydrate is the dihydrate form of cephradine, a beta-lactam, first-generation cephalosporin antibiotic with bactericidal activity. Cephradine dihydrate binds to and inactivates penicillin-binding proteins (PBP) located on the inner membrane of the bacterial cell wall. PBPs participate in the terminal stages of assembling the bacterial cell wall, and in reshaping the cell wall during cell division. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. This results in the weakening of the bacterial cell wall and causes cell lysis.|A semi-synthetic cephalosporin antibiotic.

Cephradine dihydrate Basic Attributes

Molecular Weight：

385.43532

Exact Mass：

385.131

UNII：

56PPJ9MMPE

DSSTox ID：

DTXSID90185698

NCI Thesaurus Code：

C47970

Characteristics

PSA：

140

XLogP3：

1.82710

Melting Point：

183-185 °C

Safety Information

Precautionary statement(s)：

P261, P264, P271, P272, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Danger|H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)

MeSH Entry Terms：

Anspor

Cephradine dihydrate Use and Manufacturing

Antibacterial.

Computed Properties

Molecular Weight:385.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:385.13075664
Monoisotopic Mass:385.13075664
Topological Polar Surface Area:140
Heavy Atom Count:26
Complexity:697
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes