CAS 21801-79-6 MFCD00244615-2-Methylimidazo[1,2-A]Pyridine-3-Carboxylic Acid 2-甲基咪唑并[1,2-a]吡啶-3-甲酸 TAO{mole}

2-Methylimidazo[1,2-A]Pyridine-3-Carboxylic Acid 2-甲基咪唑并[1,2-a]吡啶-3-甲酸

CAS 21801-79-6 MFCD00244615

化学结构图

SMILES: CC1N=C2C=CC=CN2C=1C(O)=O

化学属性

Mol. Formula	C9H8N2O2
Mol. Weight	176
Melting Point	147-149
Density	1.422
Boiling Point	170°

别名和识别编码

Chemical Name	2-Methylimidazo[1,2-A]Pyridine-3-Carboxylic Acid
CAS Number	21801-79-6
Alfabeta Name	METHYLIMIDAZOPYRIDINECARBOXYLICACID A2123[]----,
MDL Number	MFCD00244615
EC Number	250-023-7
Beilstein Registry Number	0155092
Synonym	2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid 2-甲基咪唑并[1,2-a]吡啶-3-羧酸
Chemical Name Translation	2-甲基咪唑并[1,2-a]吡啶-3-甲酸
Wiswesser Line Notation	T56 AN DNJ BVQ C1

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安全信息

Warnings IRRITANT

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
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；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；

Risk Statements

R22 Harmful if swallowed 吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P305+P351+P338

RTECSNJ5495000

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - muscle contraction or spasticity
   Behavioral - irritability
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: 12,122,1969

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3

Lipinski's Rule of 5

H-bond Acceptors

Rotatable Bonds

H-bond Donors

LogP