Ceftobiprole

CAT: 1596-AR-C06826-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06826-06Size:250 Units

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CAS Number

209467-52-7

Synonyms

(6R,7R) -7- ((Z) -2- (5-amino-1,2,4-thiadiazol-3-yl) -2- (hydroxyimino) acetamido) -8-oxo-3- ((E) - ((R) -2-oxo-[1,3'-bipyrrolidin]-3-ylidene) methyl) -5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula

C20H22N8O6S2

Molecular Weight

534.57

API Name

Ceftobiprole

Chemical Information

Ceftobiprole

Ceftobiprole is a fifth-generation cephalosporin antibiotic having (E)-[(3'R)-2-oxo[1,3'-bipyrrolidin]-3-ylidene]methyl and [(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino side groups located at positions 3 and 7 respectively; developed for the treatment of hospital-acquired pneumonia (HAP, excluding ventilator-associated pneumonia, VAP) and community-acquired pneumonia (CAP). It has a role as an antimicrobial agent. It is a cephalosporin and a member of thiadiazoles.

CAS Number	209467-52-7
PubChem CID	135413542
IUPAC Name	(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula	C20H22N8O6S2
Molecular Weight	534.6
XLogP	-2.4
Topological Polar Surface Area	257
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Heavy Atom Count	36
Formal Charge	0
Complexity	1100

SMILES

C1CNC[C@@H]1N2CC/C(=C\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\O)/C5=NSC(=N5)N)SC3)C(=O)O)/C2=O

InChI

InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10,12,18,22,34H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/b8-5+,25-11-/t10-,12-,18-/m1/s1

InChIKey

VOAZJEPQLGBXGO-SDAWRPRTSA-N

Chemical Structure

2D Structure

CAS: 209467-52-7

CID: 135413542

Formula: C20H22N8O6S2

MW: 534.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	534.6
XLogP3	-2.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Exact Mass	534.11037280
Monoisotopic Mass	534.11037280
Topological Polar Surface Area	257 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	1100
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA1026-1	Ceftobiprole
T40475-01	Ceftobiprole medocaril
A20135-25	Ceftobiprole 25mg
A20135-10	Ceftobiprole 10mg
A20135-100	Ceftobiprole 100mg

Ceftobiprole

Chemical Information

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