(Q27123141)

METHICILLIN SODIUM (English)

6 October 2016

chemical formula

C₁₇H₁₉N₂O₆S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)[O-])C

1 reference

METHICILLIN SODIUM (English)

6 October 2016

isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)[O-])C

1 reference

METHICILLIN SODIUM (English)

InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/p-1/t11-,12+,15-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

METHICILLIN SODIUM (English)

RJQXTJLFIWVMTO-TYNCELHUSA-M

6 October 2016

InChIKey

2 references

METHICILLIN SODIUM (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

methicillin anion (English)

6 October 2016

1 reference

METHICILLIN SODIUM (English)

6 October 2016

Reaxys registry number

4770226

1 reference

methicillin(1-) (English)

6 October 2016

ChEBI ID

52064

mapping relation type

1 reference