4818-59-1 (Iso Furosemide,Iso Furosemide)

CAS号:
4818-59-1
中文名称:
Iso Furosemide
英文名称:
Iso Furosemide
分子式:
C12H11ClN2O5S
分子量:
330.744140863419

Iso Furosemide(4818-59-1)名称与标识符

名称

中文别名:
呋塞米杂质A EP标准品;呋塞米杂质A(EP) 标准品;呋噻米杂质A;速尿杂质A;异呋喃苯胺酸;异呋塞米;异呋噻米;
英文别名:
Benzoic acid,5-(aminosulfonyl)-2-chloro-4-[(2-furanylmethyl)amino]-;Iso Furosemide;2-Chloro-4-furfurylamino-5-sulfamoylbenzoic acid;2-chloro-4-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;Furosemide impurity A;Furosemide Related Compound A;2-CHLORO-4-N-FURFURYLAMINO -5-SULFAMOYLBENZOIC ACID;H 20;Isolasix;Sugammadex sodium Org197339-1 Impurity;A899714;FUROSEMIDE IMPURITY A [EP IMPURITY];2-Chloro-4-[(furan-2-ylmethyl)amino]-5-sulphamoylbenzoic Acid;Q27291464;DTXSID30197452;2-CHLORO-4-(((FURAN-2-YL)METHYL)AMINO)-5-SULFAMOYLBENZOIC ACID;Furosemide Imp. A (EP); Furosemide USP Related Compound A; Furosemide USP RC A; 2-Chloro-4-[(furan-2-ylmethyl)-amino]-5-sulphamoylbenzoic Acid; Furosemide Related Compound A; Furosemide Impurity A;2-chloro-4-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid;UNII-V2ZF54Q4LZ;FT-0670460;SCHEMBL12418659;2-CHLORO-4-N-FURFURYLAMINO-5-SULFAMOYLBENZOIC ACID;V2ZF54Q4LZ;2-Chloro-4-((furan-2-ylmethyl)amino)-5-sulfamoylbenzoic acid;Furosemide impurity A, European Pharmacopoeia (EP) Reference Standard;EN300-18911601;Isofurosemide;Fluosemide Impurity A;BENZOIC ACID, 5-(AMINOSULFONYL)-2-CHLORO-4-((2-FURANYLMETHYL)AMINO)-;CS-0270947;4818-59-1;2-chloro-4-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid;STL453137;G49939;UXOOVYKVEXGCSH-UHFFFAOYSA-N;DB-427004;2-CHLORO-4-([(FURAN-2-YL)METHYL]AMINO)-5-SULFAMOYLBENZOIC ACID;5-(Aminosulfonyl)-2-chloro-4-[(2-furanylmethyl)amino]benzoic Acid;

标识符

MDL:
MFCD18379506
InChIKey:
UXOOVYKVEXGCSH-UHFFFAOYSA-N
Inchi:
1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)11(21(14,18)19)4-8(9)12(16)17/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
SMILES:
ClC1C(C(=O)O)=CC(=C(C=1)NCC1=CC=CO1)S(N)(=O)=O

Iso Furosemide(4818-59-1)物化性质

实验特性

  • LogP : 3.74480
  • PSA : 131.01000
  • 熔点 : 197 °C (dec.) (lit.)
  • 溶解度 : Very 微溶 (0.12 g/L) (25 ºC),
  • 密度 : 1.606±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 330.00800
  • 氢键供体数量 : 3
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 5
  • 同位素质量 : 330.0077203g/mol
  • 重原子数量 : 21
  • 复杂度 : 481
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2
  • 拓扑分子极性表面积 : 131Ų

Iso Furosemide(4818-59-1)参考资料

Reaxys RN:
Beilstein:
1297887
PubChem CID: