2-(2-(4-Chlorophenyl)Thiazol-4-Yl)Acetic Acid 2-(2-(4-氯苯基)噻唑-4-基)乙酸

CAS 17969-20-9 MFCD00721754

化学结构图

17969-20-9
SMILES: OC(=O)CC1=CSC(=N1)C1C=CC(Cl)=CC=1

化学属性

Mol. FormulaC11H8ClNO2S
Mol. Weight253.70
Melting Point150-152°

别名和识别编码

Chemical Name2-(2-(4-Chlorophenyl)Thiazol-4-Yl)Acetic Acid
CAS Number17969-20-9
Alfabeta NameCHLOROPHENYLTHIAZOLYLACETICACID 224134[]()-------,
MDL NumberMFCD00721754
Synonym 2-(4-Chlorophenyl)-4-thiazoleacetic acid 2-(4-Chlorophenyl)-thiazol-4-ylacetic acid 2-(p-Chlorophenyl)-4-thiazole-acetic acid 2-(p-Chlorophenyl)thiazol-4-ylacetic acid 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid 4-Thiazoleacetic acid, 2-(4-chlorophenyl)- Acide p-chlorophenyl-2 thiazole-acetique-4 Acido fenclozico Acidum fenclozicum Fenclozic acid ICI 54,450 Mialex Myalex
Wiswesser Line NotationT5N CSJ BR DG& E1VQ
Beilstein Registry Number0528088
PubChem Substance ID329788261
Chemical Name Translation2-(2-(4-氯苯基)噻唑-4-基)乙酸
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分类

  • {SNA} Building Blocks, C10 to C11, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Thiazoles
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
RTECSXJ1800000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 221,582,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 40,875,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 850 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 221,582,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 221,582,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 50 mg/kg
SEX/DURATION            : female 20-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - parturition
   Reproductive - Effects on Newborn - stillbirth
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 240,37,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 200 mg/kg
SEX/DURATION            : male 5 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - male fertility index (e.g. # males impregnating
   females per # males exposed to fertile nonpregnant females)
REFERENCE :
   CCPTAY Contraception.  (Geron-X, Inc., POB 1108, Los Altos, CA 94022)  V.1-
   1970-  Volume(issue)/page/year: 19,129,1979

WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害

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
3
Rotatable Bonds
3
H-bond Donors
1
LogP
3

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazoles 噻唑
  5. C10 to C11 - Thiazoles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Heterocyclic Acids 杂环酸
  5. Thiazole Acids

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