8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione-4-(dipheny lmethoxy)-1-methylpiperidine (1:1)

Modify Date: 2025-09-20 17:21:38

8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione-4-(dipheny lmethoxy)-1-methylpiperidine (1:1) Structure
8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione-4-(dipheny lmethoxy)-1-methylpiperidine (1:1) structure
 Common Name 8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione-4-(dipheny lmethoxy)-1-methylpiperidine (1:1)
CAS Number 102071-21-6 Molecular Weight 540.45200
Density N/A Boiling Point 378.7ºC at 760 mmHg
Molecular Formula C26H30BrN5O3 Melting Point N/A
MSDS N/A Flash Point 111.6ºC

 Names

Name 8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione-4-(dipheny lmethoxy)-1-methylpiperidine (1:1)

 Chemical & Physical Properties

Boiling Point 378.7ºC at 760 mmHg
Molecular Formula C26H30BrN5O3
Molecular Weight 540.45200
Flash Point 111.6ºC
Exact Mass 539.15300
PSA 85.15000
LogP 3.54750
Vapour Pressure 6.18E-06mmHg at 25°C
InChIKey ZVXNYTIIVKQCSH-UHFFFAOYSA-N
SMILES CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM7822000
CHEMICAL NAME :
Piperidine, 4-(diphenylmethoxy)-1-methyl-, bromotheophylline
CAS REGISTRY NUMBER :
102071-21-6
LAST UPDATED :
198609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H23-N-O.C7-H7-Br-N4-O2
MOLECULAR WEIGHT :
540.52
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ E1 G1 XE &T6NTJ A1 DOYR&R

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 :
72 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,185,1955
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Chemsrc provides CAS#:102071-21-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione-4-(dipheny lmethoxy)-1-methylpiperidine (1:1)>> amp version: 8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione-4-(dipheny lmethoxy)-1-methylpiperidine (1:1)

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