Acoxatrine

Modify Date: 2024-01-08 15:06:06

Acoxatrine Structure
Acoxatrine structure
Common Name Acoxatrine
CAS Number 748-44-7 Molecular Weight 380.48000
Density 1.145g/cm3 Boiling Point 565.7ºC at 760 mmHg
Molecular Formula C23H28N2O3 Melting Point N/A
MSDS N/A Flash Point 295.9ºC

 Names

Name N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenylpiperidin-4-yl]methyl]acetamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.145g/cm3
Boiling Point 565.7ºC at 760 mmHg
Molecular Formula C23H28N2O3
Molecular Weight 380.48000
Flash Point 295.9ºC
Exact Mass 380.21000
PSA 50.80000
LogP 3.32510
Index of Refraction 1.565
InChIKey WSWPNPUMDWOKAR-UHFFFAOYSA-N
SMILES CC(=O)NCC1(c2ccccc2)CCN(CC2COc3ccccc3O2)CC1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB4542500
CHEMICAL NAME :
Acetamide, N-((1-(1,4-benzodioxan-2-ylmethyl)-4-phenyl-4-piperid yl)methyl)-
CAS REGISTRY NUMBER :
748-44-7
BEILSTEIN REFERENCE NO. :
0454715
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H28-N2-O3
MOLECULAR WEIGHT :
380.53
WISWESSER LINE NOTATION :
T66 BO EOT&J C1- AT6NTJ D1MV1 DR

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 :
45 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11354

 Synonyms

Acoxatrine
Acoxatrin
R 5385
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