clometocillin sodium (Q27272772)

Clometocillin sodium salt (English)

14 October 2016

chemical formula

C₁₇H₁₇Cl₂N₂NaO₅S

1 reference

Clometocillin sodium salt (English)

14 October 2016

canonical SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC(=C(C=C3)Cl)Cl)OC)C(=O)[O-])C.[Na+]

1 reference

Clometocillin sodium salt (English)

14 October 2016

isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC(=C(C=C3)Cl)Cl)OC)C(=O)[O-])C.[Na+]

1 reference

Clometocillin sodium salt (English)

InChI=1S/C17H18Cl2N2O5S.Na/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7;/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25);/q;+1/p-1/t10-,11?,12+,15-;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

Clometocillin sodium salt (English)

VJOSJOPYZRNYSD-HUDLNOPTSA-M

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Clometocillin sodium salt (English)

14 October 2016

1 reference

UNII

9N5QS4F3AF

clometocillin sodium (English)

14 October 2016

1 reference

Sodium (2S,5R,6R)-6-{[(3,4-dichlorophenyl)(methoxy)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (English)

14 October 2016

1 reference

matched by identifier from

Clometocillin sodium salt (English)

14 October 2016

1 reference

1 reference

InChIKey

VJOSJOPYZRNYSD-HUDLNOPTSA-M

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

9N5QS4F3AF

clometocillin sodium (English)