Chem
J-GLOBAL ID:200907039324544830
Nikkaji number:J9.817E
Cefacetrile
セファセトリル
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C13 H13 N3 O6 S
Molecular formula furigana:
C13-H13-N3-O6-S
Molecular weight:
339.320
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
InChI key:
RRYMAQUWDLIUPV-BXKDBHETSA-N
SMILES:
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CC#N)C2=O)C(=O)O
Systematic name (6):
(7R)-7-[[(シアノメチル)カルボニル]アミノ]-3-[(アセチルオキシ)メチル]セファム-3-エン-4-カルボン酸
(6R,6β)-3-[(アセチルオキシ)メチル]-7α-[(シアノアセチル)アミノ]-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸
(7R)-3-[(アセチルオキシ)メチル]-7-[(シアノアセチル)アミノ]セファム-3-エン-4-カルボン酸
(6R,7R)-7-(2-シアノアセチルアミノ)-3-(アセトキシメチル)-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタン-2-エン-2-カルボン酸
(6R,7R)-3-[(アセチルオキシ)メチル]-7-(2-シアノアセトアミド)-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸
(6R,7R)-3-[(acetyloxy)methyl]-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Other name (5):
セファセトリル
Cephacetrile
Cefacetrile
(6R,7R)-7-(2-Cyanoacetylamino)-3-(acetoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-2-ene-2-carboxylic acid
(7R)-3-[(Acetyloxy)methyl]-7-[(cyanoacetyl)amino]cepham-3-ene-4-carboxylic acid
CAS registry number:
10206-21-0
Regulation number (1):
Application (1):
cephalosporins
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