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Chemistry

Mol. Mass

690.67

ALogP

-0.54

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC1=C(COC(=O)N2CC[C@H](C2)N3CC\C(=C/C4=C(N5[C@H](SC4)[C@H](NC(=O)\C(=N\O)\c6nsc(N)n6)C5=O)C(=O)O)\C3=O)OC(=O)O1
  • InChIKey: HFTSMHTWUFCYMJ-FDNJTQOMSA-N
    InChI=1S/C26H26N8O11S2/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31)/b11-6+,30-15+/t13-,16-,22-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1652606   ChEMBL
ceftobiprole medocaril

CHEMBL520642   ChEMBL
ceftobiprole

Ceftobiprole   Wikipedia

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