Aspoxicillin

CAS Registry Number®

63358-49-6
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CAS Name

Aspoxicillin

Molecular Formula

C21H27N5O7S

Molecular Mass

493.53

Cite this Page

Aspoxicillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=63358-49-6 (retrieved 2024-04-26) (CAS RN: 63358-49-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-198 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1

InChIKey

InChIKey=BHELIUBJHYAEDK-OAIUPTLZSA-N

SMILES

N(C([C@H](NC([C@@H](CC(NC)=O)N)=O)C1=CC=C(O)C=C1)=O)[C@H]2[C@@]3(N([C@@H](C(O)=O)C(C)(C)S3)C2=O)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)NC)C3=CC=C(O)C=C3)C2SC1(C)C

Other Names for this Substance

  • Glycinamide, N-methyl-D-asparaginyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-(4-hydroxyphenyl)-, (2R)-
  • Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-D-2-(4-hydroxyphenyl)-, [2S-(2α,5α,6β)]-
  • TA 058
  • Aspoxicillin
  • ASPC

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