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Cefotetan

CAT: 1410-M19010-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M19010-04Size:25 mg
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Description
Cefotetan Sodium (ICI-156834, YM-09330) is a second-generation cephalosporin, cephamycin antibiotic that is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative bacteria.
CAS Number
69712-56-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
575.62
Molecular Formula
C17H17N7O8S4
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

Cefotetan

Cefotetan is a semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7alpha, and 7beta positions, respectively, of the cephem skeleton. It is resistant to a wide range of beta-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms. It has a role as an antibacterial drug. It is a conjugate acid of a cefotetan(2-).

CAS Number69712-56-7
PubChem CID53025
IUPAC Name(6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC17H17N7O8S4
Molecular Weight575.6
XLogP0.1
Topological Polar Surface Area321
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity1090
SMILES
CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O
InChI
InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/t13?,15-,17+/m1/s1
InChIKey
SRZNHPXWXCNNDU-RHBCBLIFSA-N
Chemical Structure
2D Structure
2D structure of Cefotetan
CAS: 69712-56-7
CID: 53025
Formula: C17H17N7O8S4
MW: 575.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight575.6
XLogP30.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass575.00214522
Monoisotopic Mass575.00214522
Topological Polar Surface Area321 Ų
Heavy Atom Count36
Formal Charge0
Complexity1090
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
C012-100MGCefotetan
C117-100MGCefotetan Disodium
268036-01Δ2-Cefotetan
TRC-C242972-25MGCefotetan-13C3
HY-N6670R-01Cefotetan (Standard)

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