4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-

CAS Registry Number®

76646-91-8
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CAS Name

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-

Molecular Formula

C8H9Br2NO5S

Molecular Mass

391.03

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76646-91-8 (retrieved 2024-06-26) (CAS RN: 76646-91-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177-178 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H9Br2NO5S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)17(7,15)16/h3,6H,1-2H3,(H,12,13)/t3-,6+/m0/s1

InChIKey

InChIKey=DZYBRGUNKNPEKM-BBIVZNJYSA-N

SMILES

O=S1(=O)[C@]2(N([C@@H](C(O)=O)C1(C)C)C(=O)C2(Br)Br)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(Br)(Br)C2S(=O)(=O)C1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S-cis)-
  • 6,6-Dibromopenicillanic acid 1,1-dioxide
  • 6,6-Dibromopenicillanic acid S,S-dioxide

Deleted or Replaced CAS Registry Numbers

127140-70-9

CAS INSIGHTSTM
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