Nicotredole

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Names

[ CAS No. ]:
29876-14-0

[ Name ]:
Nicotredole

[Synonym ]:
nicotredole
3-Pyridinecarboxamide, N-[2-(1H-indol-3-yl)ethyl]-
Tryptamide
N-Nicotinoyltryptamide
N-[2-(1H-Indol-3-yl)ethyl]nicotinamide

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
588.4±35.0 °C at 760 mmHg

[ Molecular Formula ]:
C16H15N3O

[ Molecular Weight ]:
265.310

[ Flash Point ]:
309.7±25.9 °C

[ Exact Mass ]:
265.121521

[ PSA ]:
57.78000

[ LogP ]:
1.94

[ Vapour Pressure ]:
0.0±1.6 mmHg at 25°C

[ Index of Refraction ]:
1.669

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QS4476800
CHEMICAL NAME :
Nicotinamide, N-(2-indol-3-ylethyl)-
CAS REGISTRY NUMBER :
29876-14-0
BEILSTEIN REFERENCE NO. :
0242441
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C16-H15-N3-O
MOLECULAR WEIGHT :
265.34
WISWESSER LINE NOTATION :
T56 BMJ D2MV- CT6NJ

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 :
1250 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
DPHFAK Dissertationes Pharmaceuticae et Pharmacologicae. (Warsaw, Poland) V.18-24, 1966-72. For publisher information, see PJPPAA. Volume(issue)/page/year: 22,313,1970 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
90 mg/kg
SEX/DURATION :
female 6-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 39,779,1987
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4500 mg/kg
SEX/DURATION :
female 6-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 39,779,1987

Safety Information

[ Hazard Codes ]:
Xi

Synthetic Route

Precursor & DownStream

Precursor

  • Nicotinic acid
  • tryptamine
  • Nicotinaldehyde
  • nicotinoyl chloride, hydrochloride
  • 2,5-Dioxopyrrolidin-1-yl nicotinate
  • Nicotinoyl chloride

DownStream