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Cefaclor impurity E

CAT: 1596-AR-C01631-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01631-01Size:10 Units
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CAS Number
188915-50-6
Synonyms
2- ((R) -2-amino-2-phenylacetamido) -2- (5-chloro-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-yl) acetic acid; Cefaclor Open-Ring Impurity
Molecular Formula
C14H14ClN3O4S
Molecular Weight
355.8
API Name
Cefaclor

Chemical Information

(R)-2-((R)-2-Amino-2-phenylacetamido)-2-((R)-5-chloro-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-yl)acetic acid
CAS Number188915-50-6
PubChem CID166451406
IUPAC Name(2R)-2-[[(2R)-2-amino-2-phenylacetyl]amino]-2-[(2R)-5-chloro-4-oxo-2,3-dihydro-1,3-thiazin-2-yl]acetic acid
Molecular FormulaC14H14ClN3O4S
Molecular Weight355.8
XLogP-1.5
Topological Polar Surface Area147
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity522
SMILES
C1=CC=C(C=C1)[C@H](C(=O)N[C@@H]([C@@H]2NC(=O)C(=CS2)Cl)C(=O)O)N
InChI
InChI=1S/C14H14ClN3O4S/c15-8-6-23-13(18-11(8)19)10(14(21)22)17-12(20)9(16)7-4-2-1-3-5-7/h1-6,9-10,13H,16H2,(H,17,20)(H,18,19)(H,21,22)/t9-,10+,13-/m1/s1
InChIKey
DSKNHVUKATXSCQ-GBIKHYSHSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-((R)-2-Amino-2-phenylacetamido)-2-((R)-5-chloro-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-yl)acetic acid
CAS: 188915-50-6
CID: 166451406
Formula: C14H14ClN3O4S
MW: 355.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.8
XLogP3-1.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass355.0393548
Monoisotopic Mass355.0393548
Topological Polar Surface Area147 Ų
Heavy Atom Count23
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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