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Cefcapene

CAT: 0024-sc-504728Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-504728Size:25 mg
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CAS Number
135889-00-8

Chemical Information

Cefcapene

Cefcapene is a cephalosporin compound having (carbamoyloxy)methyl and N-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino side-groups. It is used (generally as the corresponnding pivaloyloxymethyl ester prodrug) as an oral antibacterial. It has a role as an antibacterial drug. It is a secondary carboxamide, a carbamate ester, a cephalosporin, a carboxylic acid, a member of 1,3-thiazoles and an enamide.

CAS Number135889-00-8
PubChem CID6436055
IUPAC Name(6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC17H19N5O6S2
Molecular Weight453.5
XLogP-0.5
Topological Polar Surface Area231
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity831
SMILES
CC/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
InChI
InChI=1S/C17H19N5O6S2/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26)/b8-3-/t10-,14-/m1/s1
InChIKey
HJJRIJDTIPFROI-NVKITGPLSA-N
Chemical Structure
2D Structure
2D structure of Cefcapene
CAS: 135889-00-8
CID: 6436055
Formula: C17H19N5O6S2
MW: 453.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP3-0.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass453.07767569
Monoisotopic Mass453.07767569
Topological Polar Surface Area231 Ų
Heavy Atom Count30
Formal Charge0
Complexity831
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-A0112Cefcapene
C082-10MGCefcapene Sodium
HY-135221ACefcapene pivoxil
RM-C031614-01E-Cefcapene
RM-C031633-01Cefcapene-d5
005856Cefcapene Pivoxil Hydrochloride
HY-135221-01Cefcapene pivoxil (hydrochloride)
AR-C06546-01Cefcapene Impurity 17
AR-C06534-01Cefcapene Impurity 6
AR-C06533-01Cefcapene Impurity 5

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