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Cefalexin monohydrate impurity F

CAT: 0926-FC63650-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FC63650-01Size:5 mg
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CAS Number
79750-46-2
Smiles
CC1=CS[C@@H]2[C@@H] (C (=O) N2C1C (=O) O) NC (=O) [C@@H] (C3=CC=CC=C3) N
Molecular Formula
C16H17N3O4S·2H2O
Molecular Weight
383.42 g/mol
Controlled
No

Chemical Information

(6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

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CAS Number79750-46-2
PubChem CID14031068
IUPAC Name(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Molecular FormulaC16H17N3O4S
Molecular Weight347.4
XLogP-1.4
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity588
SMILES
CC1=CS[C@@H]2[C@@H](C(=O)N2C1C(=O)O)NC(=O)[C@@H](C3=CC=CC=C3)N
InChI
InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-7,10-12,15H,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,12?,15-/m1/s1
InChIKey
UALOAEFJDPITFY-XOGJBXBPSA-N
Chemical Structure
2D Structure
2D structure of (6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
CAS: 79750-46-2
CID: 14031068
Formula: C16H17N3O4S
MW: 347.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.4
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass347.09397721
Monoisotopic Mass347.09397721
Topological Polar Surface Area138 Ų
Heavy Atom Count24
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-C061216-01Cefalexin Impurity 16
RM-C061215-01Cefalexin Impurity 15
RM-C061243-01Cefalexin Impurity 43
RM-C061209-01Cefalexin Impurity 9
RM-C061213-01Cefalexin Impurity 13
RM-C061211-01Cefalexin Impurity 11
RM-C061223-01Cefalexin Impurity 23
RM-C061218-01Cefalexin Impurity 18
RM-C061217-01Cefalexin Impurity 17
RM-C061214-01Cefalexin Impurity 14

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