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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1-Piperazineethanol, 4-(o-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthiny lmethyl)-
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Purity: 98.0%
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19971-95-0

19971-95-0 structure

19971-95-0 structure

Name: 1-Piperazineethanol, 4-(o-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthiny lmethyl)
Chemical Name: 7-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CAS Number: 19971-95-0
Molecular Formula: C₂₁H₂₇ClN₆O₃
Molecular Weight: 446.93000
Create Date: 2017-05-22 10:22:55
Modify Date: 2025-10-27 09:36:04

Name	7-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Synonyms	7-{3-[4-(2-chloro-benzyl)-piperazin-1-yl]-2-hydroxy-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione Theophylline,7-(3-(4-(o-chlorobenzyl)-1-piperazinyl)-2-hydroxypropyl) 7-{3-[4-(2-chlorobenzyl)piperazin-1-yl]-2-hydroxypropyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione

Density	1.42g/cm3
Boiling Point	675.8ºC at 760mmHg
Molecular Formula	C₂₁H₂₇ClN₆O₃
Molecular Weight	446.93000
Flash Point	362.5ºC
Exact Mass	446.18300
PSA	88.53000
LogP	0.14160
Vapour Pressure	3.48E-19mmHg at 25°C
Index of Refraction	1.679

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TL6957000

CHEMICAL NAME :: 1-Piperazineethanol, 4-(o-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthinylmet hyl)-

CAS REGISTRY NUMBER :: 19971-95-0

BEILSTEIN REFERENCE NO. :: 0595259

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H27-Cl-N6-O3

MOLECULAR WEIGHT :: 446.99

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ F1 H1 B1YR BG&- AT6N DNTJ D2Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 121 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 89,771,1969

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