 Home > Encyclopedia > 2-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-bis(2-chloroethyl)ethanamine,hydrochloride

2-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-bis(2-chloroethyl)ethanamine,hydrochloride

2-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-bis(2-chloroethyl)ethanamine,hydrochloride structure

CAS No:
16059-69-1
Formula:
C35H52Cl3N3O4
Chemical Name:
2-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-bis(2-chloroethyl)ethanamine,hydrochloride
Synonyms:
Emetine (or isoemetine),dihydrochloride;

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2-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-bis(2-chloroethyl)ethanamine,hydrochloride Basic Attributes

Molecular Weight：

685.16400

Exact Mass：

683.302340

NSC Number：

101536

DSSTox ID：

DTXSID80637752

Characteristics

PSA：

46.64000

XLogP3：

7.11320

Density：

1.21g/cm3

Boiling Point：

672.8ºC

Flash Point：

360.7ºC

Refractive Index：

1.592

Vapor Pressure：

5.77E-18mmHg at 25°C

Computed Properties

Molecular Weight:685.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:14
Exact Mass:683.302340
Monoisotopic Mass:683.302340
Topological Polar Surface Area:46.6
Heavy Atom Count:45
Complexity:853
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Hot Searches: smz-tmp; ammonium thioglycolate; lead sulfate; sulfur trioxide formula; 9000/30; echemi

Guide of 2-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-bis(2-chloroethyl)ethanamine,hydrochloride

Basic Attributes
Characteristics
Computed Properties

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