基本情報
- CAS
60925-61-3- 標準SMILES
NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12- InChIKey
SLAYUXIURFNXPG-CRAIPNDOSA-N- 分子式
- C20H21N7O6S2
- 平均分子量
- 519.6 g/mol
- 単同位体質量
- 519.09947376
概要
Ceforanide is a second-generation cephalosporin antibiotic with {[1-(carboxymethyl)-1H-tetrazol-5-yl]sulfanyl}methyl and 2-(aminomethyl)phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is effective against many coliforms, including Escherichia coli, Klebsiella, Enterobacter and Proteus, and most strains of Salmonella, Shigella, Hemophilus, Citrobacter and Arizona species. It has a role as an antibacterial drug.
名称と識別子
- 優先名称
- Ceforanide
- IUPAC
- (6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 現地名
- セフォラニド
- 英語名
- Ceforanide
- 分子式
- C20H21N7O6S2
- 分子量
- 519.55
名称と別名
CEFORANIDE60925-61-3PrecefCeforanidoCeforanidumBL-S786ceforanida(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidcefaronideDTXSID10227608M1YF8951V7-(o-(Aminomethyl)phenylacetamido)-3-(((1-(carboxymethyl)-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid
名称をさらに表示
セホラニドセフォラニド抗生物質BL-S-786(6R,7R)-7α-[[(2-アミノメチルフェニル)アセチル]アミノ]-3-[[[1-(カルボキシメチル)-1H-テトラゾール-5-イル]チオ]メチル]-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)-7-{2-[2-(アミノメチル)フェニル]アセトアミド}-3-({[1-(カルボキシメチル)-1H-1,2,3,4-テトラゾール-5-イル]スルファニル}メチル)-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C06884BL-S-786CEFORANIDE (200 MG)Antibiotic BL-S-786Ceforanide USP/EP/BPCeforanide (1097807)Ceforanide, 10 mM in DMSO2-(2,4-Dimethylphenyl)sulf
物性
構造計算による物性
- XLogP
- -3.2
- 極性表面積
- 244 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 12
- 回転可能結合数
- 10
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 905
実験および物理化学的性質
Drugs
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Antibiotics
LogP-3.7
Solubility1.97e-01 g/L
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physical DescriptionSolid
物理化学的性質
- 融点
- 150 ° · >150° (dec)
- 比重(密度)
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- 溶解性
- 水性塩基（わずかに）、DMSO（わずかに加熱）、メタノール（わずかに）
- 酸解離定数(Pka)
- 2.52 · 2.52±0.10(Predicted)
- 外見
- 個体
- 色
- 白色～薄茶色
- 安定性
- 吸湿性
- InChIKey
- SLAYUXIURFNXPG-CRAIPNDOSA-N
- SMILES
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesSkin Sens. 1 (100%)
安全データ
- hs_code
- 2941906000
化学と産業
薬理情報
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
Protein Binding80.6%
PharmacodynamicsCeforanide is a semisynthetic second-generation cephalosporin. The cephalosporins are bactericidal drugs with both gram-positive and gram-negative activity. They inhibit bacterial cell wall synthesis in a way similar to the penicillins.
Mechanism of ActionThe bactericidal activity of ceforanide results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs).
Biological Half-Life2.6 to 2.98 hours
Metabolism/MetabolitesThe major drug elimination route was urinary excretion with 85% of the dose being excreted unchanged in the urine within 12 hr, and no metabolites with antibiotic activity were observed in urine.
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Absorption, Distribution and ExcretionRapidly absorbed following intramuscular injection.
応用分野
説明Ceforanide is a second generation cephalosporin with good β-lactamase resistance. It has a serum half-life of about three hours, allowing twice-daily dosing.
使用Ceforanide is a cephalosporin based antibiotic used in the sterilization in various medical procedures.
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