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Cefotiam

CAT: 0926-AC183647-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-AC183647-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
61622-34-2
MDL Number
MFCD00865087
Smiles
C (O) (=O) C=1N2[C@@] ([C@H] (NC (CC=3N=C (N) SC3) =O) C2=O) (SCC1CSC=4N (CCN (C) C) N=NN4) [H]
Molecular Formula
C18H23N9O4S3
Molecular Weight
525.62 g/mol
Controlled
No

Chemical Information

Cefotiam

Cefotiam is a cephalosporin with ({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl and (2-amino-1,3-thiazol-4-yl)acetamido substituents at positions 3 and 7, respectively, of the cephem skeleton. A third generation beta-lactam cephalosporin antibiotic, it is active against a broad spectrum of both Gram positive and Gram negative bacteria. It has a role as an antibacterial drug. It is a cephalosporin, a semisynthetic derivative and a beta-lactam antibiotic allergen.

CAS Number61622-34-2
PubChem CID43708
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
Molecular FormulaC18H23N9O4S3
Molecular Weight525.6
XLogP-2.4
Topological Polar Surface Area251
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count34
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
InChI
InChI=1S/C18H23N9O4S3/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)/t12-,15-/m1/s1
InChIKey
QYQDKDWGWDOFFU-IUODEOHRSA-N
Chemical Structure
2D Structure
2D structure of Cefotiam
CAS: 61622-34-2
CID: 43708
Formula: C18H23N9O4S3
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP3-2.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass525.10351377
Monoisotopic Mass525.10351377
Topological Polar Surface Area251 Ų
Heavy Atom Count34
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T75297-01Cefotiam
268037-01Cefotiam dihydrochloride
GTR19175446-01Cefotiam hydrochloride
RM-C061301-01Cefotiam Impurity A
MBS578044Cefotiam HCl

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