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

Modify Date: 2024-04-07 19:19:56

1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(4-methoxyphenyl)thiourea structure	Common Name	1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(4-methoxyphenyl)thiourea
	CAS Number	111897-72-4	Molecular Weight	443.48000
	Density	1.4g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₉H₂₁N₇O₄S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

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

Density	1.4g/cm3
Molecular Formula	C₁₉H₂₁N₇O₄S
Molecular Weight	443.48000
Exact Mass	443.13800
PSA	167.07000
LogP	2.70830
Index of Refraction	1.662
InChIKey	ALOQCBUDJNZJIR-UHFFFAOYSA-N
SMILES	COc1ccc(NC(=S)NNC(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XF7463626

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

CAS REGISTRY NUMBER :: 111897-72-4

LAST UPDATED :: 198909

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H21-N7-O4-S

MOLECULAR WEIGHT :: 443.53

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

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 :: 800 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

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