26844-30-4

26844-30-4 structure

26844-30-4 structure

Name: 2-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid
Chemical Name: 2-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid
CAS Number: 26844-30-4
Molecular Formula: C₂₃H₂₅N₃O₃
Molecular Weight: 391.46300
Create Date: 2017-05-05 20:49:05
Modify Date: 2024-01-31 09:18:07

Name	2-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid
Synonyms	2-({1-[2-(1h-indol-3-yl)ethyl]piperidin-4-yl}carbamoyl)benzoic acid 2-(((4-(2-(1H-Indol-3-yl)ethyl)-4-piperidinyl)amino)carbonyl)benzoic acid hydrate N-[1-(2-indol-3-yl-ethyl)-piperidin-4-yl]-phthalamic acid 3-<2-(4-(2-Carboxybenzamido)piperid-1-yl)-ethyl>indol 3-(2-(4-(2-Carboxybenzamido)piperid-1-yl)ethyl)indole hydrate Benzoic acid,2-(((4-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)amino)carbonyl)-,hydrate

Density	1.31g/cm3
Boiling Point	662.9ºC at 760mmHg
Molecular Formula	C₂₃H₂₅N₃O₃
Molecular Weight	391.46300
Flash Point	354.7ºC
Exact Mass	391.19000
PSA	88.92000
LogP	3.81570
Vapour Pressure	1.77E-18mmHg at 25°C
Index of Refraction	1.677

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH2972300

CHEMICAL NAME :: Benzoic acid, 2-(((4-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)amino)c arbonyl)-, hydrate

CAS REGISTRY NUMBER :: 26844-30-4

LAST UPDATED :: 199103

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C23-H25-N3-O3.H2-O

MOLECULAR WEIGHT :: 409.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >400 mg/kg

TOXIC EFFECTS :: Vascular - BP lowering not characterized in autonomic section

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: 14,1054,1971