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Home> Hot Product Listed A   > AKOS000266216
734-32-7 structure

AKOS000266216

Iupac Name:(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CAS No.:734-32-7
Molecular Weight:272.388
Molecular Formula:C13H18N2O (isomer)
Names and Identifiers
Synonyms

1-(4-ethoxyphthalazin-1-yl)piperidine-4-carboxylic acid 4-piperidinecarboxylic acid, 1-(4-ethoxy-1-phthalazinyl)- AK518722 ALBB-019391 BG01594075 mfcd14281624 MOLPORT-015-136-642 ZINC32918511 zx-an035101

Inchi
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1
InChkey
JRIZOGLBRPZBLQ-QXUSFIETSA-N
Canonical Smiles
CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34
Properties
Melting Point
169-172°C
Refractive Index
1.556
Safety and Handling
Risk Statements
R11
Safety Statements
16-26-36/37/39-45
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Bayer AG 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

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:272.388g/mol
  • Molecular Formula:C13H18N2O
  • Compound Is Canonicalized:True
  • Exact Mass:272.178
  • Monoisotopic Mass:272.178
  • Complexity:504
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.1A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:5
  • 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: AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAAAAAADwSAgAACAAAAAACI AqBSAAAAAAAgAAAACAEAAEgAABIAAQAAAAAAgAAIAQMIiMCPgAAAAAAAAACAAAQAACAAAAAACAAA AA==
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  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
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