cefempidone (Q27258224)

Cefempidone (English)

14 October 2016

chemical formula

C₂₂H₂₁N₇O₆S₂

1 reference

Cefempidone (English)

14 October 2016

canonical SMILES

C1CNC(=O)C1ON=C(C2=CN=C(S2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)C[N+]5=CC=CC=C5)C(=O)[O-]

1 reference

Cefempidone (English)

14 October 2016

isomeric SMILES

C1CNC(=O)C1O/N=C(/C2=CN=C(S2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C[N+]5=CC=CC=C5)C(=O)[O-]

1 reference

Cefempidone (English)

InChI=1S/C22H21N7O6S2/c23-22-25-8-13(37-22)14(27-35-12-4-5-24-17(12)30)18(31)26-15-19(32)29-16(21(33)34)11(10-36-20(15)29)9-28-6-2-1-3-7-28/h1-3,6-8,12,15,20H,4-5,9-10H2,(H4-,23,24,25,26,27,30,31,33,34)/t12?,15-,20-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

Cefempidone (English)

14 October 2016

1 reference

Global Substance Registration System

Cefempidone (English)

14 October 2016

1 reference

UNII

3YUZ4494BQ

cefempidone (English)

14 October 2016

1 reference

Cefempidone (English)

14 October 2016

2 references

Cefempidone (English)

14 October 2016

71463603

1 reference

1 reference

CEFEMPIDONE (English)

14 October 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTox substance ID

DTXSID40145707

2 references

stated in

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

3YUZ4494BQ

cefempidone (English)

14 October 2016