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Cefcapene Pivoxil Hydrochloride

CAT: 0024-sc-211038ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-211038ASize:5 mg
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CAS Number
147816-23-7

Chemical Information

Cefcapene pivoxil hydrochloride

structure in first source

CAS Number147816-23-7
PubChem CID6918126
IUPAC Name2,2-dimethylpropanoyloxymethyl (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-carboxylate;hydrochloride
Molecular FormulaC23H30ClN5O8S2
Molecular Weight604.1
Topological Polar Surface Area247
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Heavy Atom Count39
Formal Charge0
Complexity1060
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)OCOC(=O)C(C)(C)C.Cl
InChI
InChI=1S/C23H29N5O8S2.ClH/c1-5-6-12(13-9-38-21(24)26-13)16(29)27-14-17(30)28-15(11(7-34-22(25)33)8-37-18(14)28)19(31)35-10-36-20(32)23(2,3)4;/h6,9,14,18H,5,7-8,10H2,1-4H3,(H2,24,26)(H2,25,33)(H,27,29);1H/b12-6-;/t14-,18-;/m1./s1
InChIKey
ALPFRUJYOAKQQR-CQZSJNSUSA-N
Chemical Structure
2D Structure
2D structure of Cefcapene pivoxil hydrochloride
CAS: 147816-23-7
CID: 6918126
Formula: C23H30ClN5O8S2
MW: 604.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass603.1224330
Monoisotopic Mass603.1224330
Topological Polar Surface Area247 Ų
Heavy Atom Count39
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
005856Cefcapene Pivoxil Hydrochloride
HY-135221-01Cefcapene pivoxil (hydrochloride)
269484-01Cefcapene pivoxil hydrochloride monohydrate
BUP13930-01Cefcapene pivoxil hydrochloride hydrate
HY-135221RCefcapene pivoxil (hydrochloride) (Standard)
HY-W040022-01Cefcapene pivoxil (hydrochloride hydrate)
HY-W040022R-01Cefcapene pivoxil (hydrochloride hydrate) (Standard)
HY-135221ACefcapene pivoxil

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