2,4-Diamino-5-Fluoroquinazoline 2,4-二氨基-5-氟喹唑啉

CAS 119584-70-2 MFCD00221785

化学结构图

119584-70-2
SMILES: NC1N=C(N)C2C(F)=CC=CC=2N=1

化学属性

Mol. FormulaC8H7FN4
Mol. Weight178
Melting Point245-248°
TSCANo

别名和识别编码

Chemical Name2,4-Diamino-5-Fluoroquinazoline
CAS Number119584-70-2
Alfabeta NameFLUOROQUINAZOLINEDIAMINE 524---,
MDL NumberMFCD00221785
Synonym 2,4-Diamino-5-fluoroquinazoline 5-Fluoro-2,4-quinazolinediamine 5-Fluoroquinazoline-2,4-diamine
Beilstein Registry Number3590571
Chemical Name Translation2,4-二氨基-5-氟喹唑啉
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分类

  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
RTECSVA1367730
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 33,434,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 489 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 33,434,1990

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
0
H-bond Donors
2
LogP
1

系列性分类