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Home> Hot Product Listed P   > Protein (Saccharomycescerevisiae gene BUB2 reduced) (9CI)
83919-23-7 structure

Protein (Saccharomycescerevisiae gene BUB2 reduced) (9CI)

Iupac Name:[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
CAS No.:83919-23-7
Molecular Weight:521.431
Molecular Formula:C14H13CL2NO6 (isomer)
Names and Identifiers
Synonyms

BuB2 protein

Inchi
InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1
InChkey
WOFMFGQZHJDGCX-ZULDAHANSA-N
Canonical Smiles
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C
Isomers Smiles
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=
O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C
Properties
Density
1.37
Melting Point
218-220oC
Refractive Index
1.604
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1A

Specific target organ toxicity \u2013 single exposure, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

H372 Causes damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

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.

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

P264 Wash ... thoroughly after handling.

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

Response

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

P308+P311 IF exposed or concerned: Call a POISON CENTER/doctor/...

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

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:521.431g/mol
  • Molecular Formula:C14H13CL2NO6
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.9
  • Exact Mass:520.142
  • Monoisotopic Mass:520.142
  • Complexity:1020
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:93.8A^2
  • Heavy Atom Count:35
  • Defined Atom Stereocenter Count:8
  • 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: AAADceB4OAAGAAAAAAAAAAAAAAAAAaIAAAAwYIAAAAAAAGDBgAAAGgIACAAAD1egkEIyDIAABkCI AqjSiAICCAAkIAAIiAFGC8hNNjKFNR6CWSCkwBEKqYfI7vjPgAAAAAAAAADIAAZAADIQAYAADAAA AA==
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