(3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Names
[ CAS No. ]:
50528-97-7
[ Name ]:
(3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
[Synonym ]:
Urea,N-(2,6-dimethylphenyl)-N'-(1-methyl-2-pyrrolidinylidene)
Urea,1-(1-methyl-2-pyrrolidinylidene)-3-(2,6-xylyl)
N-(2,6-Dimethylphenyl)-N'-(1-methyl-2-pyrrolidinylidene)urea
Xilobamum [INN-Latin]
1-(2,6-dimethyl-phenyl)-3-(1-methyl-pyrrolidin-2-ylidene)-urea
McN 3113
3-(1-Methyl-2-pyrrolidinyliden)-1-(2,6-dimethylphenyl)urea
1-(1-Methyl-2-pyrrolidinylidene)-3-(2,6-xylyl)urea
XILOBAM
Chemical & Physical Properties
[ Density]:
1.136g/cm3
[ Molecular Formula ]:
C14H19N3O
[ Molecular Weight ]:
245.32000
[ Exact Mass ]:
245.15300
[ PSA ]:
44.70000
[ LogP ]:
2.97030
[ Index of Refraction ]:
1.585
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YT8850000
- CHEMICAL NAME :
- Urea, 1-(1-methyl-2-pyrrolidinylidene)-3-(2,6-xylyl)-
- CAS REGISTRY NUMBER :
- 50528-97-7
- BEILSTEIN REFERENCE NO. :
- 0406212
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C14-H19-N3-O
- MOLECULAR WEIGHT :
- 245.36
- WISWESSER LINE NOTATION :
- T5NYTJ A1 BUNVMR B1 F1
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 :
- 830 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness Behavioral - rigidity (including catalepsy) Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 233,326,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 128 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness Behavioral - rigidity (including catalepsy) Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 233,326,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 320 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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: 21,1044,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 110 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness Behavioral - rigidity (including catalepsy) Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 233,326,1978
Safety Information
[ HS Code ]:
2933990090
Precursor & DownStream
Precursor
DownStream
Customs
[ 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%