Loracarbef

CAS Registry Number®

76470-66-1

CAS Name

Loracarbef

Molecular Formula

C16H16ClN3O4

Molecular Mass

349.77

Cite this Page

Loracarbef.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76470-66-1 (retrieved 2024-11-24) (CAS RN: 76470-66-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205-215 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

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

InChIKey=JAPHQRWPEGVNBT-UTUOFQBUSA-N

SMILES

O=C1N2[C@@]([C@@H]1NC([C@H](N)C3=CC=CC=C3)=O)(CCC(Cl)=C2C(O)=O)[H]

Canonical SMILES

O=C(O)C1=C(Cl)CCC2N1C(=O)C2NC(=O)C(N)C=3C=CC=CC3

Other Names for this Substance

  • 1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-, (6R,7S)-
  • 1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-chloro-8-oxo-, [6R-[6α,7β(R*)]]-
  • 1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-chloro-8-oxo-, (6R,7S)-
  • (6R,7S)-7-[[(2R)-2-Amino-2-phenylacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • LY 163892

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