Feedback

cefotetan disodium

Properties

Image

Occurences in reactions

MNX_ID

MNXM103602

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

formula

C₁₇H₁₅N₇Na₂O₈S₄

charge

mass

618.96603

reference

chebi:34617

InChIKey

ZQQALMSFFARWPK-GLHLDKNHSA-L

InChI

InChI=1S/C17H17N7O8S4.2Na/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28;;/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30);;/q;2*+1/p-2/b12-6-;;/t13?,15-,17+;;/m1../s1

SMILES

CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)[O-])S2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+].[Na+]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34617 chebi:34617	cefotetan disodium Cefotetan disodium Cefotetan sodium disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate disodium 7beta-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylate
kegg.drug:D02228 keggD:D02228	Cefotetan disodium (USP) Cefotan (TN) Cefotetan sodium (JAN)
kegg.compound:C14007 keggC:C14007	Cefotetan disodium Cefotetan sodium
seed.compound:cpd09758 seedM:cpd09758	Cefotetan sodium Cefotetan disodium
keggC:M_C14007 keggD:M_D02228 seedM:M_cpd09758	secondary/obsolete/fantasy identifier