Cephalothin

CAT: 0931-T5570-04Size: 1 gDry Ice: NoHazardous: No

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CAT#:0931-T5570-04Size:1 g

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CAS Number

153-61-7

Target

Antibacterial, Antibiotic

Related Pathways

Microbiology/Virology

Purity

0.9962

Bioactivity

Cephalothin is a beta-lactam antibiotic, inhibits class C β-lactamase AmpC (Ki: 0.32 μM) .

Smiles

C(O)(=O)C=1N2[C@@]([C@H](NC(CC3=CC=CS3)=O)C2=O)(SCC1COC(C)=O)[H]

Molecular Formula

C16H16N2O6S2

Molecular Weight

396.44

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cephalothin

Cefalotin is a semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administered parenterally during surgery and to treat a wide spectrum of blood infections. It has a role as an antimicrobial agent and an antibacterial drug. It is a cephalosporin, a member of thiophenes, a carboxylic acid, an azabicycloalkene, a semisynthetic derivative and a beta-lactam antibiotic allergen. It is a conjugate acid of a cefalotin(1-).

CAS Number	153-61-7
PubChem CID	6024
IUPAC Name	(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula	C16H16N2O6S2
Molecular Weight	396.4
XLogP	-0.4
Topological Polar Surface Area	167
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	680

SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O

InChI

InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1

InChIKey

XIURVHNZVLADCM-IUODEOHRSA-N

Chemical Structure

2D Structure

CAS: 153-61-7

CID: 6024

Formula: C16H16N2O6S2

MW: 396.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	396.4
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	396.04497858
Monoisotopic Mass	396.04497858
Topological Polar Surface Area	167 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	680
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-B1275A-01	Cephalothin
C39SD1061	Cephalothin/Cefalotin
TRC-C261155-100MG	Cephalothin Sodium
HY-B1275-01	Cephalothin (sodium)
A16437-250	Cephalothin 250mg
RM-C160817-01	Cephalothin Impurity17
RM-C160818-01	Cephalothin Impurity18

Cephalothin

Chemical Information

Alternative Products

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