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Cefotiam (hydrochloride)

CAT: 0804-HY-B0734A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0734A-01Size:5 mg
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Description
Cefotiam (SCE-963) hydrochloride is a parenteral cephalosporin antibiotic. Cefotiam hydrochloride has broad-spectrum activity against Gram-positive and Gram-negative bacteria[1][2].
CAS Number
66309-69-1
Product Name Alternative
SCE-963 (hydrochloride)
UNSPSC
12352005
Hazard Statement
H319
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
Neuroscience-Neuromodulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Cefotiam-hydrochloride.html
Purity
98.00
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 33.33 mg/mL (ultrasonic)
Smiles
O=C(C(N12)=C(CSC3=NN=NN3CCN(C)C)CS[C@]2([H])[C@H](NC(CC4=CSC(N)=N4)=O)C1=O)O.[H]Cl.[H]Cl
Molecular Formula
C18H25Cl2N9O4S3
Molecular Weight
598.55
Precautions
H319
References & Citations
[1]Iwahi T, et, al. Comparative activities of cefotiam and cefazolin against urinary tract infections with Proteus mirabilis in mice. Antimicrob Agents Chemother. 1980 Aug;18 (2) :257-63.|[2]Watt B, et, al. In-vitro activity of cefotiam against bacteria of clinical interest. J Antimicrob Chemother. 1982 Nov;10 (5) :391-5.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
β-lactam

Chemical Information

Cefotiam Hydrochloride

Cefotiam dihydrochloride is the dihydrochloride salt of cefotiam. It has a role as an antibacterial drug. It contains a cefotiam.

CAS Number66309-69-1
PubChem CID47896
IUPAC Name(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrochloride
Molecular FormulaC18H25Cl2N9O4S3
Molecular Weight598.6
Topological Polar Surface Area251
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity847
SMILES
CN(C)CCN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O.Cl.Cl
InChI
InChI=1S/C18H23N9O4S3.2ClH/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10;;/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31);2*1H/t12-,15-;;/m1../s1
InChIKey
BWRRTAXZCKVRON-DGPOFWGLSA-N
Chemical Structure
2D Structure
2D structure of Cefotiam Hydrochloride
CAS: 66309-69-1
CID: 47896
Formula: C18H25Cl2N9O4S3
MW: 598.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass597.0568692
Monoisotopic Mass597.0568692
Topological Polar Surface Area251 Ų
Heavy Atom Count36
Formal Charge0
Complexity847
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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