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Home> Encyclopedia > Hot Product Listed 6   > 6,7-Isoquinolinediol,1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-, hydrobromide (1:1)
84-51-5 structure

6,7-Isoquinolinediol,1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-, hydrobromide (1:1)

Iupac Name:2-ethylanthracene-9,10-dione
CAS No.:84-51-5
Molecular Weight:236.27
Molecular Formula:C24H19CLN6O2S (isomer)
Names and Identifiers
Synonyms

(?à)-Tetrahydropapaveroline hydrobromide (+-)-Tetrahydropapaveroline hydrobromide,98% (+/-)-tetrahydropapaveroline hydrobromide 1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide 1,3,4-tetrahydropapaveroline hbr 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol, bromi de 6,7-Isoquinolinediol, 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-,hydrobromide (9CI) 6,7-Isoquinolinediol,1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydro-, hydrobromide (8CI) 7-isoquinolinediol,1-((3,4-dihydroxyphenyl)methyl)-1,2,3,4-tetrahydro-hb 7-isoquinolinediol,1,2,3,4-tetrahydro-1-(3,4-dihydroxybenzyl)-hydrobromide AC1Q23O3 AK-60287 AKOS022181284 bromhydratedetetrahydropapaveroline c-49625 EN300-27660 MCULE-6758480652 NORLAUDANOSOLINE HYDROBROMIDE NSC 118071 nsc118071 nsc-118071 papaveroline,2,3,4-tetrahydro-, hydrobromide SCHEMBL3276906 ST056944 Tetrahydropapaveroline hydrobromide TETRAHYDROPAPAVEROLINE HYDROBROMIDE 98% TETRAHYDROPAPAVEROLINE HYDROBROMIDE 98% Tetrahydropapaverolinebromide

Inchi
InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3
InChkey
SJEBAWHUJDUKQK-UHFFFAOYSA-N
Canonical Smiles
CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
Properties
Density
1.469
Melting Point
108-111℃
Refractive Index
1.629?
Flash Point
192.1°C
HS Code
29146990
Safety and Handling
Risk Statements
R22
Safety Statements
S24/25
HazardClass
4.1
PackingGroup
II; III
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Specific target organ toxicity – repeated exposure, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H373 May cause damage to organs through prolonged or repeated exposure

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:236.27g/mol
  • Molecular Formula:C24H19CLN6O2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.4
  • Exact Mass:236.084
  • Monoisotopic Mass:236.084
  • Complexity:360
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.1A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAGgAAAAAADASAmAAyAIAAAACI AqBSAAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiYcJiMCOwAACAAAQAACAAAQAACAAAAAAAAAA AA==
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