94771-98-9

94771-98-9 structure

Name: 1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(4-ethoxyphenyl)thiourea
Chemical Name: 1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(4-ethoxyphenyl)thiourea
CAS Number: 94771-98-9
Molecular Formula: C₂₀H₂₃N₇O₄S
Molecular Weight: 457.50600
Create Date: 2016-12-20 22:03:31
Modify Date: 2024-01-09 10:28:01

Name	1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(4-ethoxyphenyl)thiourea

Density	1.38g/cm3
Molecular Formula	C₂₀H₂₃N₇O₄S
Molecular Weight	457.50600
Exact Mass	457.15300
PSA	167.07000
LogP	3.09840
Index of Refraction	1.653

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XF7463620

CHEMICAL NAME :: 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((4-ethoxyphenyl)amino)thioxomethyl) hydrazide

CAS REGISTRY NUMBER :: 94771-98-9

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C20-H23-N7-O4-S

MOLECULAR WEIGHT :: 457.56

WISWESSER LINE NOTATION :: 5NNNNJ B1VMMYUS&MR DO2& ER CO1 DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 23,1133,1984

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PHMGBN Pharmacology: International Journal of Experimental and Clinical Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1- 1968- Volume(issue)/page/year: 35,333,1987

94771-93-4

3460-49-9

~65%

94771-98-9

Literature: Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135

2024-83-1

94771-98-9

Literature: Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135

10493-27-3

94771-98-9

Literature: Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135

91759-58-9

94771-98-9

Literature: Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135

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