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Decarbamylcefoxitin Lactone

CAT: 0572-TRC-D212715-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D212715-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1422023-33-3
Synonyms
Decarbamylcefoxitin Lactone; (5aR,6S)-6-Methoxy-6-[[(thiophen-2-yl)acetyl]amino]-5a,6-dihydro-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazine-1,7(4H)-dione; Cefoxitin lactone; 2-Thiopheneacetamide, N-[(5aR,6S)-1,4,5a,6-tetrahydro-6-methoxy-1,7-dioxo-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiaz
Hazard Statement
No Data Available
Smiles
CO[C@]1(NC(=O)Cc2cccs2)[C@H]3SCC4=C(N3C1=O)C(=O)OC4
Molecular Formula
C15 H14 N2 O5 S2
Molecular Weight
366.412
InChI
InChI=1S/C15H14N2O5S2/c1-21-15(16-10(18)5-9-3-2-4-23-9)13(20)17-11-8(6-22-12(11)19)7-24-14(15)17/h2-4,14H,5-7H2,1H3,(H,16,18)/t14-,15+/m1/s1
Shipping Conditions
Room Temperature

Chemical Information

Decarbamylcefoxitin Lactone
CAS Number1422023-33-3
PubChem CID129010482
IUPAC NameN-[(4S,5R)-4-methoxy-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]-2-thiophen-2-ylacetamide
Molecular FormulaC15H14N2O5S2
Molecular Weight366.4
XLogP0
Topological Polar Surface Area138
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity652
SMILES
CO[C@@]1([C@@H]2N(C1=O)C3=C(COC3=O)CS2)NC(=O)CC4=CC=CS4
InChI
InChI=1S/C15H14N2O5S2/c1-21-15(16-10(18)5-9-3-2-4-23-9)13(20)17-11-8(6-22-12(11)19)7-24-14(15)17/h2-4,14H,5-7H2,1H3,(H,16,18)/t14-,15+/m1/s1
InChIKey
ZNHLCKJVGCWLCR-CABCVRRESA-N
Chemical Structure
2D Structure
2D structure of Decarbamylcefoxitin Lactone
CAS: 1422023-33-3
CID: 129010482
Formula: C15H14N2O5S2
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass366.03441390
Monoisotopic Mass366.03441390
Topological Polar Surface Area138 Ų
Heavy Atom Count24
Formal Charge0
Complexity652
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

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