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16401-80-2

16401-80-2 structure
16401-80-2 structure
  • Name: Delmetacin
  • Chemical Name: 2-(1-benzoyl-2-methylindol-3-yl)acetic acid
  • CAS Number: 16401-80-2
  • Molecular Formula: C18H15NO3
  • Molecular Weight: 293.31700
  • Create Date: 2018-05-07 08:00:00
  • Modify Date: 2025-08-25 11:55:41

Name 2-(1-benzoyl-2-methylindol-3-yl)acetic acid
Synonyms Delmetacinum [INN-Latin]
(1-benzoyl-2-methyl-indol-3-yl)-acetic acid
Demetacin
Delmetacine [INN-French]
UR 2310
Delmetacin
Delmetacina [Spanish]
(1-benzoyl-2-methyl-1H-indol-3-yl)acetic acid
Delmetacina [INN-Spanish]
Delmetacin [INN]
Density 1.22g/cm3
Boiling Point 433.2ºC at 760mmHg
Molecular Formula C18H15NO3
Molecular Weight 293.31700
Flash Point 215.8ºC
Exact Mass 293.10500
PSA 59.30000
LogP 3.26530
Vapour Pressure 2.84E-08mmHg at 25°C
Index of Refraction 1.623

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL3350000
CHEMICAL NAME :
Indole-3-acetic acid, 1-benzoyl-2-methyl-
CAS REGISTRY NUMBER :
16401-80-2
BEILSTEIN REFERENCE NO. :
0488508
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C18-H15-N-O3
MOLECULAR WEIGHT :
293.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
362 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AFTOD7 Archivos de Farmacologia y Toxicologia. (Universidad Complutense, Facultad de Medicina, Departamento Coordinado de Farmacologia, Ciudad Universitaria, Madrid 3, Spain) V.1- 1975- Volume(issue)/page/year: 8,201,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
262 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AFTOD7 Archivos de Farmacologia y Toxicologia. (Universidad Complutense, Facultad de Medicina, Departamento Coordinado de Farmacologia, Ciudad Universitaria, Madrid 3, Spain) V.1- 1975- Volume(issue)/page/year: 8,201,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
820 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AFTOD7 Archivos de Farmacologia y Toxicologia. (Universidad Complutense, Facultad de Medicina, Departamento Coordinado de Farmacologia, Ciudad Universitaria, Madrid 3, Spain) V.1- 1975- Volume(issue)/page/year: 8,201,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
609 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AFTOD7 Archivos de Farmacologia y Toxicologia. (Universidad Complutense, Facultad de Medicina, Departamento Coordinado de Farmacologia, Ciudad Universitaria, Madrid 3, Spain) V.1- 1975- Volume(issue)/page/year: 8,201,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AFTOD7 Archivos de Farmacologia y Toxicologia. (Universidad Complutense, Facultad de Medicina, Departamento Coordinado de Farmacologia, Ciudad Universitaria, Madrid 3, Spain) V.1- 1975- Volume(issue)/page/year: 8,201,1982
HS Code 2933990090
HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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