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Loracarbef monohydrate

CAT: 0926-FL24931-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FL24931-01Size:10 mg
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CAS Number
76470-66-1
Synonyms
(6R,7S) -7-[[ (2R) -2-Amino-2-phenylacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Lorabid
MDL Number
MFCD28988849
Smiles
C1CC (=C (N2[C@H]1[C@@H] (C2=O) NC (=O) [C@@H] (C3=CC=CC=C3) N) C (=O) O) Cl
Molecular Formula
C16H16ClN3O4·H2O
Molecular Weight
367.78 g/mol
Controlled
No

Chemical Information

Loracarbef

Loracarbef is a synthetic "carba" analogue of cefaclor, with carbon replacing sulfur at position 1. Used to treat a wide range of infections caused by both gram-positive and gram-negative bacteria. It has a role as an antimicrobial agent and an antibacterial drug. It is a conjugate acid of a loracarbef anion. It is a tautomer of a loracarbef zwitterion.

CAS Number76470-66-1
PubChem CID5284585
IUPAC Name(6R,7S)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77
XLogP-1.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity600
SMILES
C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl
InChI
InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1
InChIKey
JAPHQRWPEGVNBT-UTUOFQBUSA-N
Chemical Structure
2D Structure
2D structure of Loracarbef
CAS: 76470-66-1
CID: 5284585
Formula: C16H16ClN3O4
MW: 349.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.77
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass349.0829337
Monoisotopic Mass349.0829337
Topological Polar Surface Area113 Ų
Heavy Atom Count24
Formal Charge0
Complexity600
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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Alternative Products

CatalogName
TRC-L469553-1MGLoracarbef Monohydrate
HY-B1682Loracarbef
TYD-04539-01Loracarbef-CoA
HY-B1682ALoracarbef (hydrate)
HY-B1682ARLoracarbef (hydrate) (Standard)
51R-U370225Loracarbef L-isomer (USP grade powder)
700749165-Methylresorcinol monohydrate (Orcinol monohydrate)
3121985D-Glucose monohydrate (Dextrose monohydrate)
3121965Dextrose monohydrate (D-Glucose monohydrate)
3120100D-Glucose monohydrate IP (Dextrose monohydrate

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