Chem
J-GLOBAL ID:200907091738672181
Nikkaji number:J1.478.123D
BAL-9141
BAL-9141
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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:
C20 H22 N8 O6 S2
Molecular formula furigana:
C20-H22-N8-O6-S2
Molecular weight:
534.570
InChI:
InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10,12,18,22,34H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,12-,18-/m1/s1
InChI key:
VOAZJEPQLGBXGO-AJLCLMPTSA-N
SMILES:
Nc1nc(ns1)C(=NO)C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C=C1CCN([C@@H]2CCNC2)C1=O
Systematic name (3):
7β-[[(5-アミノ-1,2,4-チアジアゾール-3-イル)(ヒドロキシイミノ)アセチル]アミノ]-3-[[1-(3α-ピロリジル)-2-オキソピロリジン-3-イリデン]メチル]セファム-3-エン-4-カルボン酸
(6R,7R)-7-[2-(5-アミノ-1,2,4-チアジアゾール-3-イル)-2-(N-ヒドロキシイミノ)アセトアミド]-8-オキソ-3-{[(3'R)-2-オキソ-[1,3'-ビピロリジン]-3-イリデン]メチル}-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)-7-[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(N-hydroxyimino)acetamido]-8-oxo-3-{[(3'R)-2-oxo-[1,3'-bipyrrolidin]-3-ylidene]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Other name (5):
7β-[[(5-Amino-1,2,4-thiadiazole-3-yl)(hydroxyimino)acetyl]amino]-3-[[1-(3α-pyrrolidyl)-2-oxopyrrolidine-3-ylidene]methyl]cepham-3-ene-4-carboxylic acid
Ro-63-9141
BAL-9141
セフトビプロール
Ceftobiprole
CAS registry number:
209467-52-7
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