1-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-oxoethyl]phenyl]phenyl]ethanone,dibromide

Modify Date: 2025-11-26 13:58:33

1-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-oxoethyl]phenyl]phenyl]ethanone,dibromide Structure
1-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-oxoethyl]phenyl]phenyl]ethanone,dibromide structure
 Common Name 1-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-oxoethyl]phenyl]phenyl]ethanone,dibromide
CAS Number 63884-22-0 Molecular Weight 626.42000
Density N/A Boiling Point 729.3ºC at 760 mmHg
Molecular Formula C28H38Br2N2O4 Melting Point N/A
MSDS N/A Flash Point 394.8ºC

 Names

Name 1-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-oxoethyl]phenyl]phenyl]ethanone,dibromide

 Chemical & Physical Properties

Boiling Point 729.3ºC at 760 mmHg
Molecular Formula C28H38Br2N2O4
Molecular Weight 626.42000
Flash Point 394.8ºC
Exact Mass 624.12000
PSA 81.08000
LogP 4.69240
InChIKey OJGMJSQYUNGNDG-UHFFFAOYSA-N
SMILES O=C(Cc1ccc(-c2ccc(CC(=O)[NH+]3CCC(CO)CC3)cc2)cc1)[NH+]1CCC(CO)CC1.[Br-].[Br-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TN4455000
CHEMICAL NAME :
Piperidinium, (4,4'-biphenylylenebis(2-oxoethylene))bis(4-hydroxy-1 -methyl-, dibromide
CAS REGISTRY NUMBER :
63884-22-0
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C28-H38-N2-O4.2Br
MOLECULAR WEIGHT :
626.50
WISWESSER LINE NOTATION :
T6KTJ A1 DQ A1VR DR DV1- AT6KTJ A1 DQ &E 2

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 :
6300 ug/kg
TOXIC EFFECTS :
Gastrointestinal - changes in structure or function of salivary glands Gastrointestinal - hypermotility, diarrhea Kidney, Ureter, Bladder - urine volume increased
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 22,20,1970
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Chemsrc provides CAS#:63884-22-0 MSDS, density, melting point, boiling point, structure, etc. Its name is 1-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-oxoethyl]phenyl]phenyl]ethanone,dibromide>> amp version: 1-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-2-oxoethyl]phenyl]phenyl]ethanone,dibromide

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