18180-91-1

18180-91-1 structure

18180-91-1 structure

Name: (Z)-but-2-enedioic acid,2-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-diethylethanamine
Chemical Name: (Z)-but-2-enedioic acid,2-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-diethylethanamine
CAS Number: 18180-91-1
Molecular Formula: C₂₉H₃₆N₂O₈
Molecular Weight: 540.60500
Create Date: 2016-06-13 16:34:04
Modify Date: 2023-03-12 23:03:29

Name	(Z)-but-2-enedioic acid,2-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-diethylethanamine
Synonyms	2-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-diethylethanamine 6-(2-(Diethylamino)ethyl)-5,6,7,12-tetrahydro-dibenz(c,f)azocine dimaleate Dibenz(c,f)azocine,6-(2-(diethylamino)ethyl)-5,6,7,12-tetrahydro-,maleate (1:2)

Molecular Formula	C₂₉H₃₆N₂O₈
Molecular Weight	540.60500
Exact Mass	540.24700
PSA	155.68000
LogP	3.29630
Vapour Pressure	2.85E-07mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HO3156400

CAS REGISTRY NUMBER :: 18180-91-1

LAST UPDATED :: 198112

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H28-N2.2C4-H4-O4

MOLECULAR WEIGHT :: 540.67

WISWESSER LINE NOTATION :: T C686 JN&T&J J2N2&2 &QV1U1VQ -C 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 :: 194 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Behavioral - analgesia

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,97,1968