Hetacillin

CAS Registry Number®

3511-16-8
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CAS Name

Hetacillin

Molecular Formula

C19H23N3O4S

Molecular Mass

389.47

Cite this Page

Hetacillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3511-16-8 (retrieved 2024-04-27) (CAS RN: 3511-16-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1

InChIKey

InChIKey=DXVUYOAEDJXBPY-NFFDBFGFSA-N

SMILES

O=C1[C@H]([C@@]2(N1[C@@H](C(O)=O)C(C)(C)S2)[H])N3C(=O)[C@H](NC3(C)C)C4=CC=CC=C4

Canonical SMILES

O=C(O)C1N2C(=O)C(N3C(=O)C(NC3(C)C)C=4C=CC=CC4)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(4R)-2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-, D-(-)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-
  • (2S,5R,6R)-6-[(4R)-2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • BRL 804

View All

Deleted or Replaced CAS Registry Numbers

14537-96-3

CAS INSIGHTSTM
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