Ceftobiprole

CAS Registry Number®

209467-52-7
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CAS Name

Ceftobiprole

Molecular Formula

C20H22N8O6S2

Molecular Mass

534.57

Cite this Page

Ceftobiprole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=209467-52-7 (retrieved 2024-04-19) (CAS RN: 209467-52-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10,12,18,22,34H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/b8-5+,25-11-/t10-,12-,18-/m1/s1

InChIKey

InChIKey=VOAZJEPQLGBXGO-SDAWRPRTSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\O)/C3=NSC(N)=N3)=O)C2=O)(SCC1/C=C\4/C(=O)N(CC4)[C@@H]5CCNC5)[H]

Canonical SMILES

O=C(O)C1=C(C=C2C(=O)N(CC2)C3CNCC3)CSC4N1C(=O)C4NC(=O)C(=NO)C5=NSC(=N5)N

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino]-8-oxo-3-[(E)-[(3′R)-2-oxo[1,3′-bipyrrolidin]-3-ylidene]methyl]-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(5-amino-1,2,4-thiadiazol-3-yl)(hydroxyimino)acetyl]amino]-8-oxo-3-[(E)-[(3′R)-2-oxo[1,3′-bipyrrolidin]-3-ylidene]methyl]-, (6R,7R)-
  • (6R,7R)-7-[[(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino]-8-oxo-3-[(E)-[(3′R)-2-oxo[1,3′-bipyrrolidin]-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Ro 63-9141
  • BAL 9141

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