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Home> Encyclopedia > Hot Product Listed 6   > 6H-Dibenzo[a,g]quinolizin-1-ol,5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-
5625-67-2 structure

6H-Dibenzo[a,g]quinolizin-1-ol,5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-

Iupac Name:piperazin-2-one
CAS No.:5625-67-2
Molecular Weight:100.121
Molecular Formula:C5H4N4OS (isomer)
Names and Identifiers
Synonyms

(.+-.)-capaurine (?à)-Capaurine 13a.alpha.-berbin-1-ol,3,9,10-tetramethoxy- 2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-1-ol 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5h-isoquinolino[2,1-b]isoquinolin-1-ol 6h-dibenzo(a,g)quinolizin-1-ol, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (+-)- 6h-dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (.+-.)- 6h-dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (s)- 6h-dibenzo[a,g]quinolizin-1-ol, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy- 6h-dibenzo[a,g]quinolizin-1-ol,5,8,13,13a-tetrahydro-2,3,9,1 6H-Dibenzo[a,g]quinolizin-1-ol,5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (?à)- AC1L1UMT AC1Q569U Berbin-1-ol, 2,3,9,10-tetramethoxy-, (?à)- (8CI) berbin-1-ol, 2,3,9,10-tetramethoxy-, dl- berbin-1-ol,3,9,10-tetramethoxy-, (.+-.)- berbin-1-ol,3,9,10-tetramethoxy-, dl- capauridin capauridine capaurine, (.+-.)- capaurine, (+-)- capaurine, dl- CTK4J0346 dl-Capaurine LS-43478 mls002920137 nsc 132059 nsc132059 nsc-132059 nsc404532 nsc-404532 SCHEMBL679768 smr001797734 wln: t d6 b666 kn&tt&j go1 ho1 po1 qo1 rq

Inchi
InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)
InChkey
IWELDVXSEVIIGI-UHFFFAOYSA-N
Canonical Smiles
C1CNC(=O)CN1
Properties
Density
1.66
Boiling Point
471.9°Cat760mmHg
Vapour
0mmHg at 25°C
Refractive Index
1.615
Flash Point
306.3°C
HS Code
2933599090
Safety and Handling
Risk Statements
R36/37/38;R43
Safety Statements
S26;S36/37
Safety

Poison by intravenous route. Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.

Toxicity
1.    

ipr-rat LDLo:500 mg/kg

    NCNSA6    National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),22.
2.    

ivn-mus LD50:82 mg/kg

    FEPRA7    Federation Proceedings, Federation of American Societies for Experimental Biology. 5 (1946),163.
PackingGroup
III
Transport
1759
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:100.121g/mol
  • Molecular Formula:C5H4N4OS
  • Compound Is Canonicalized:True
  • Exact Mass:100.064
  • Monoisotopic Mass:100.064
  • Complexity:81.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.1A^2
  • Heavy Atom Count:7
  • 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: AAADccBjIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAAAADBgAQAAALAAAAI AAEQEAAAAAAAAAAAAICIAAAAQAAAACAQAAAAFgCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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