4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, hydrochloride (1:1), (2S,5R,6R)-

CAS Registry Number®

39878-70-1

CAS Name

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, hydrochloride (1:1), (2S,5R,6R)-

Molecular Formula

C24H23N3O6S.ClH

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, hydrochloride (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=39878-70-1 (retrieved 2024-11-24) (CAS RN: 39878-70-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154-157 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C24H23N3O6S.ClH/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12;/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28);1H/t15-,16-,17+,20-,23?;/m1./s1

InChIKey

InChIKey=PAZSYTCTHYSIAO-WVFSJLEKSA-N

SMILES

C(OC1C=2C(C(=O)O1)=CC=CC2)(=O)[C@@H]3N4[C@@]([C@H](NC([C@H](N)C5=CC=CC=C5)=O)C4=O)(SC3(C)C)[H].Cl

Canonical SMILES

Cl.O=C1OC(OC(=O)C2N3C(=O)C(NC(=O)C(N)C=4C=CC=CC4)C3SC2(C)C)C=5C=CC=CC15

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, hydrochloride (1:1), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, monohydrochloride, [2S-[2α,5α,6β(S*)]]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, monohydrochloride, (2S,5R,6R)-
  • PC 183
  • Ampicillin phthalidyl ester hydrochloride

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