(6R,7R)-7-({[(Difluoromethyl)sulfanyl]acetyl}amino)-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid（CAS番号：99665-00-6）

(6R,7R)-7-({[(Difluoromethyl)sulfanyl]acetyl}amino)-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

基本情報

編集器で閲覧

CAS番号

99665-00-6

分子式

C15H18F2N6O7S2

分子量

496.47 g/mol

基本的な物理特性

融点

82.5-87.5°

SMILES

編集器で閲覧

COC1(C2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)F

InChI

InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1

InChIKey

UHRBTBZOWWGKMK-DOMZBBRYSA-N

LogP

-1.2905999999999962

トポロジカル極性表面積

169.0 Å²

水素結合ドナー/アクセプター

3 / 13

複雑度

793

同義語と引用データ

英語

CHEBI:135813
V9E5U5XF42
(7R)-7-(2-(difluoromethylthio)acetamido)-3-((1-(2-hydroxyethyl)-1H-tetrazol-5-ylthio)methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
BCP20920
DB11935
Flomoxef [INN]
(6R,7R)-7-[[2-(difluoromethylthio)-1-oxoethyl]amino]-3-[[[1-(2-hydroxyethyl)-5-tetrazolyl]thio]methyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Flomoxefum
AKOS015896442
Flomoxefum [Latin]
FLOMOXEF [WHO-DD]
5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[[(difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-, (6R,7R)-
UHRBTBZOWWGKMK-DOMZBBRYSA-N
CHEMBL15413
(-)-(6R,7R)-7-(2-((Difluoromethyl)thio)acetamido)-3-(((1-(2-hydroxyethyl)-1H-tetrazol-5-yl)thio)methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
GTPL12251
DTXSID5048845
(6R,7R)-7-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
FMOX
(6R,7R)-7-{2-[(difluoromethyl)sulfanyl]acetamido}-3-({[1-(2-hydroxyethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Flomoxef
HY-B0706
NS00011563
CS-0009596
SCHEMBL49438
A846063
(6R,7R)-7-[2-[bis(fluoranyl)methylsulfanyl]ethanoylamino]-3-[[1-(2-hydroxyethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxidanylidene-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
flomoxef sodium
5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-, (6r-cis)-
Flomoxef (INN)
Flomoxefo [Spanish]

MDL番号

MFCD00865115

よくある質問

氟氧头孢の物理化学的性質は何ですか？

CAS番号99665-00-6の氟氧头孢は、(6R,7R)-7-({[(Difluoromethyl)sulfanyl]acetyl}amino)-3-({[1-(2-ヒドロキシステイリル)-1H-テトラゾール-5-イル]スルファニル}メチル)-7-メチオキシ-8-オキソ-5-オキサ-1-アザビシクロ[4.2.0]オクテン-2-カーボキシル酸と呼ばれ、分子量は約613.13です。この化合物は結晶性で、水溶解性は低いですが、アルコールには溶けます。反応活性は高いです。