4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxohexyl)amino]-, sodium salt (1:1), (2S,5R,6R)-

CAS Registry Number®

575-47-3

CAS Name

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxohexyl)amino]-, sodium salt (1:1), (2S,5R,6R)-

Molecular Formula

C14H22N2O4S.Na

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxohexyl)amino]-, sodium salt (1:1), (2S,5R,6R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=575-47-3 (retrieved 2024-12-22) (CAS RN: 575-47-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    188 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C14H22N2O4S.Na/c1-4-5-6-7-8(17)15-9-11(18)16-10(13(19)20)14(2,3)21-12(9)16;/h9-10,12H,4-7H2,1-3H3,(H,15,17)(H,19,20);/t9-,10+,12-;/m1./s1

InChIKey

InChIKey=OZNRNFVBLXXDLE-QQQUOLKDSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(CCCCC)=O)C2=O)(SC1(C)C)[H].[Na]

Canonical SMILES

[Na].O=C(O)C1N2C(=O)C(NC(=O)CCCCC)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxohexyl)amino]-, sodium salt (1:1), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-hexanamido-3,3-dimethyl-7-oxo-, monosodium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxohexyl)amino]-, monosodium salt, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxohexyl)amino]-, monosodium salt, (2S,5R,6R)-
  • Amylpenicillin sodium

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