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loracarbef

PropertiesImage
MNX_IDMNXM60349 Image of MNXM60349
referencechebi:47544
formulaC16H16ClN3O4
global charge0
mol weight349.774
InChIKeyJAPHQRWPEGVNBT-UTUOFQBUSA-N
InChIInChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1
SMILESN[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1 Image of MNXM60349
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([C@H:11]([C:14](=[N:19][C@H:12]2[C@H:10]3[CH2:7][CH2:6][C:9]([Cl:17])=[C:13]([C:16](=[O:23])[OH:24])[N:20]3[C:15]2=[O:22])[OH:21])[NH2:18])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:47544
chebi:47544
JAPHQRWPEGVNBT-UTUOFQBUSA-N 		loracarbef
(6R,7S)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7beta-[(2R)-2-amino-2-phenylacetyl]nitrilo-3-chloro-3,4-didehydrocepham-4-carboxylic acid
LORACABEF
loracarbefum

seed.compound:cpd05080
seedM:cpd05080
sabiork.compound:10211
sabiorkM:10211
JAPHQRWPEGVNBT-UTUOFQBUSA-N 		Loracarbef

kegg.drug:D08143
keggD:D08143
JAPHQRWPEGVNBT-UTUOFQBUSA-N 		Loracarbef (INN)
Lorbef (TN)
hmdb:HMDB0014590
JAPHQRWPEGVNBT-UTUOFQBUSA-N 		Loracarbef
(6R,7S)-7-[(2R)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Carbac
LORACABEF
Lilly brand OF loracarbef
Lilly brand OF loracarbef monohydrate
Lorabid
Loracarbef monohydrate
Loracarbefum
Lorafem
Lorax
Monarch brand OF loracarbef monohydrate
Syntex brand OF loracarbef monohydrate
Zambon brand OF loracarbef monohydrate
loracabef

CHEBI:281056
chebi:281056
JAPHQRWPEGVNBT-UTUOFQBUSA-M 		loracarbef anion
(6R,7S)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7beta-[(2R)-2-amino-2-phenylacetyl]nitrilo-3-chloro-3,4-didehydrocepham-4-carboxylate
loracarbef

CHEBI:214480
chebi:214480
JAPHQRWPEGVNBT-UTUOFQBUSA-N 		loracarbef zwitterion
(6R,7S)-7-{[(2R)-2-ammonio-2-phenylacetyl]amino}-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7beta-[(2R)-2-ammonio-2-phenylacetyl]nitrilo-3-chloro-3,4-didehydrocepham-4-carboxylate
loracarbef

hmdb:HMDB14590
keggD:M_D08143
seedM:M_cpd05080 		secondary/obsolete/fantasy identifier