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50528-97-7

50528-97-7 structure

50528-97-7 structure

Name: (3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Chemical Name: (3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
CAS Number: 50528-97-7
Molecular Formula: C₁₄H₁₉N₃O
Molecular Weight: 245.32000
Create Date: 2018-09-02 23:56:32
Modify Date: 2024-01-12 00:55:14

Name	(3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Synonyms	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

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

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

HS Code	2933990090

Precursor 0
DownStream 2
25348-08-7 87-62-7

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%