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

CAS Registry Number®

1177-30-6

CAS Name

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

Molecular Formula

C22H22N2O5S.K

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenoxy-2-phenylacetyl)amino]-, potassium 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=1177-30-6 (retrieved 2024-12-23) (CAS RN: 1177-30-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    88-95 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C22H22N2O5S.K/c1-22(2)17(21(27)28)24-19(26)15(20(24)30-22)23-18(25)16(13-9-5-3-6-10-13)29-14-11-7-4-8-12-14;/h3-12,15-17,20H,1-2H3,(H,23,25)(H,27,28);/t15-,16?,17+,20-;/m1./s1

InChIKey

InChIKey=UNGJKLNHFBFJEH-RQCGWANSSA-N

SMILES

N(C(C(OC1=CC=CC=C1)C2=CC=CC=C2)=O)[C@H]3[C@@]4(N([C@@H](C(O)=O)C(C)(C)S4)C3=O)[H].[K]

Canonical SMILES

[K].O=C(O)C1N2C(=O)C(NC(=O)C(OC=3C=CC=CC3)C=4C=CC=CC4)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-[(2-phenoxy-2-phenylacetyl)amino]-, potassium salt (1:1), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxy-2-phenylacetamido)-, monopotassium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyphenylacetyl)amino]-, monopotassium salt, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxy-2-phenylacetamido)-, potassium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyphenylacetyl)amino]-, monopotassium salt, (2S,5R,6R)-

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Deleted or Replaced CAS Registry Numbers

3690-72-0

CAS INSIGHTSTM
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