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Cefcapene Pivoxil Impurity 63

CAT: 1299-RM-C031663-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C031663-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1360188-88-0
Synonyms
Tert-butyl (4- ((Z) -1- (((5aR,6R) -1,7-dioxo-1,4,5a,6-tetrahydro-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl) amino) -1-oxopent-2-en-2-yl) thiazol-2-yl) carbamate
Molecular Formula
C21H24N4O6S2
Molecular Weight
492.57
Target Alternative Name
Cefcapene Pivoxil

Chemical Information

Cefcapene Impurity 36
CAS Number1360188-88-0
PubChem CID57327648
IUPAC Nametert-butyl N-[4-[(Z)-1-[[(4R,5R)-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]amino]-1-oxopent-2-en-2-yl]-1,3-thiazol-2-yl]carbamate
Molecular FormulaC21H24N4O6S2
Molecular Weight492.6
XLogP1.7
Topological Polar Surface Area180
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity944
SMILES
CC/C=C(/C1=CSC(=N1)NC(=O)OC(C)(C)C)\C(=O)N[C@H]2[C@@H]3N(C2=O)C4=C(COC4=O)CS3
InChI
InChI=1S/C21H24N4O6S2/c1-5-6-11(12-9-33-19(22-12)24-20(29)31-21(2,3)4)15(26)23-13-16(27)25-14-10(7-30-18(14)28)8-32-17(13)25/h6,9,13,17H,5,7-8H2,1-4H3,(H,23,26)(H,22,24,29)/b11-6-/t13-,17-/m1/s1
InChIKey
LYRLIIZQYGTJCG-RHHUQRCKSA-N
Chemical Structure
2D Structure
2D structure of Cefcapene Impurity 36
CAS: 1360188-88-0
CID: 57327648
Formula: C21H24N4O6S2
MW: 492.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.6
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass492.11372685
Monoisotopic Mass492.11372685
Topological Polar Surface Area180 Ų
Heavy Atom Count33
Formal Charge0
Complexity944
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

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