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Emetine, dihydrochloride, hydrate

Emetine, dihydrochloride, hydrate structure

CAS No:
7083-71-8
Formula:
C29H40N2O4.2ClH.xH2O
Chemical Name:
Emetine, dihydrochloride, hydrate
Synonyms:
2H-Benzo[a]quinolizine,3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl]methyl]-,hydrochloride,hydrate (1:2:?),(2S,3R,11bS)-;Emetine,dihydrochloride,hydrate;Emetan,6′,7′,10,11-tetramethoxy-,dihydrochloride,hydrate;2H-Benzo[a]quinolizine,emetan deriv.;Emetine hydrochloride hydrate

Description

Emetine dihydrochloride hydrate is a hydrate that is the monohydrate of the dihydrochloride salt of emetine. It has a role as an antimalarial, an antineoplastic agent, an antiprotozoal drug, an antiviral agent, an autophagy inhibitor, an emetic, a protein synthesis inhibitor and an anticoronaviral agent. It is a hydrate and a hydrochloride. It contains an emetine dihydrochloride.

Emetine, dihydrochloride, hydrate Basic Attributes

Molecular Weight：

571.58

Exact Mass：

570.2627279 g/mol

EC Number：

206-259-8

UNII：

99K15P31AB

DSSTox ID：

DTXSID4041024

HScode：

2939800000

Characteristics

PSA：

61.42000

XLogP3：

6.74980

Melting Point：

240-250 °C (dec., dry matter)(lit.)

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 1544 6.1/PG 2

wgk germany：

hazard class code：

28-36/37/38

safety instructions：

26-28-36/37-45

RTECS Number：

JY5250000

Marks：

T+

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:571.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:570.2627279
Monoisotopic Mass:570.2627279
Topological Polar Surface Area:53.2
Heavy Atom Count:38
Complexity:679
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes

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(+)-EMETINE DIHYDROCHLORIDE HYDRATE

CAS No.: 7083-71-8

Content: 99.00%

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Guide of Emetine, dihydrochloride, hydrate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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