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cefacetrile

Properties

Image

Occurences in reactions

MNX_ID

MNXM103578

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₃H₁₃N₃O₆S

charge

mass

339.05251

reference

InChIKey

RRYMAQUWDLIUPV-BXKDBHETSA-N

InChI

InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1

SMILES

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CC#N)[C@H]2SC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:135437 chebi:135437	cefacetrile cefacetrile sodium cephacetril cephacetrile
kegg.drug:D07629 keggD:D07629	Cefacetrile (INN) Cephacetrile Vetrimast [veterinary] (TN)
hmdb:HMDB0015484	Cefacetrile (6R,7R)-3-[(acetyloxy)methyl]-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-Cyanacetylamino-cephalosporansaeure Celospor Cephacetrile Cephacetrile sodium Sodium, cephacetrile Vetrimast cefacetrile
hmdb:HMDB15484 keggD:M_D07629	secondary/obsolete/fantasy identifier