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Home> Hot Product Listed H   > Hexadecanoic acid,(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester
530-43-8 structure

Hexadecanoic acid,(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester

Iupac Name:[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hexadecanoate
CAS No.:530-43-8
EINECS(EC#): 208-477-9
Molecular Weight:561.541
Molecular Formula:C27H42Cl2N2O6 (isomer)
Names and Identifiers
Synonyms

(2r,3r)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl palmitate (2r,3r)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester hexadecanoic acid (2r,3r)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate [(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hexadecanoate [(2r,3r)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-oxidanyl-propyl] hexadecanoate 2,2-dichloro-n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)-2-propyl]acetamide palmitate 4-13-00-02753 (beilstein handbook reference) 43vu4207nw A829360 AB2000133 ABP000525 AC1L9EKB AC-25653 AK307368 AKOS025401796 alficetyn amphicol api0001950 BCP9000521 C11726 c-23225 cap-palmitate cas-530-43-8 cc-25648 CHEBI:3605 CHEMBL1506 Chlorambon chloramphenicol monopalmitate Chloramphenicol monopalmitate(ester) chloramphenicol palmitat chloramphenicol palmitate Chloramphenicol palmitate (ester) chloramphenicol palmitate (jp17/usp) chloramphenicol palmitate [usp:ban:jan] chloramphenicol palmitate nonpolymorph a, united states pharmacopeia (usp) reference standard chloramphenicol palmitate polymorph a, united states pharmacopeia (usp) reference standard chloramphenicol palmitate, united states pharmacopeia (usp) reference standard chloramphenicol palmitate, vetranal(tm), analytical standard chloramphenicol palmitate/ chloramphenicolpalmitate chloromycetin palmitate (tn) D-(-)-Chloramphenicolpalmitate d-(-)-threo-2-dichloroacetamido-1-(4-nitrophenyl)-1,3-propanediol palmitate D01072 detreopal DR003271 dsstox_cid_28625 dsstox_gsid_48699 dsstox_rid_82895 DTXSID9048699 FT-0602994 hexadecanoic acid [(2r,3r)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester hexadecanoic acid, (2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester Hexadecanoicacid, (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester(9CI) l- -chloramphenicolpalmitate LP091253 mfcd00083597 NCGC00159489-04 Palmitic acid, ester with chloramphenicol (6CI) PXKHGMGELZGJQE-ILBGXUMGSA-N SC-80865 SCHEMBL193727 tox21_113094 unii-43vu4207nw ZINC8214521 zx-afc001510

Inchi
InChI=1S/C27H42Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)/t23-,25-/m1/s1
InChkey
PXKHGMGELZGJQE-ILBGXUMGSA-N
Canonical Smiles
CCCCCCCCCCCCCCCC(=O)OCC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
Properties
Appearance
crystals, very slightly sol in water
Density
1.172
Melting Point
90 C
Boiling Point
691.6oC
Refractive Index
1.525
Flash Point
372.1 oC
HS Code
29414000
Storage temp
Store at RT.
Safety and Handling
Hazard Codes
Xn
Risk Statements
R40
Safety Statements
36/37-36-26
Safety

Hazard Codes:? Xn
Risk Statements : 40-36/37/38-20/21/22
40: Limited evidence of a carcinogenic effect?
36/37/38:Irritating to eyes, respiratory system and skin
20/21/22:?:[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hexadecanoate(530-43-8)
is harmful by inhalation, in contact with skin and if swallowed
Safety Statements : 36/37--26
36/37:Wear suitable protective clothing and gloves
26: When using [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hexadecanoate(530-43-8),?in case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RTECS : RT4735000
?

Toxicity
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2640mg/kg (2640mg/kg) ? Drugs in Japan Vol. 6, Pg. 248, 1982.
Specification

IUPAC Name:[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hexadecanoate(530-43-8)
CAS:530-43-8
Synonyms: Chloramphenicol alpha-palmitate;chloramphenicol palmitate ; Alpha-esterwithd-threo-(-)-2,2-dichloro-n-(beta-hydroxy-alpha-palmiticaci ; Cap-p;cap-palmitate ; Chloramphenicolmonopalmitate ; Chloramphenicolpalmitate(ester) ; Chloromycetinpalmitate
?

Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H351 Suspected of causing cancer

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.

Response

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

Synthesis Route
530-43-8Total: 12 Synthesis Route
Precursor and Product
Computational chemical data
  • Molecular Weight:561.541g/mol
  • Molecular Formula:C27H42Cl2N2O6
  • Compound Is Canonicalized:True
  • XLogP3-AA:9
  • Exact Mass:560.242
  • Monoisotopic Mass:560.242
  • Complexity:639
  • Rotatable Bond Count:21
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:121A^2
  • Heavy Atom Count:37
  • Defined Atom Stereocenter Count:2
  • 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: AAADcfB7OAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgIUCAAADD/hmMYyyILQRgCJ AiXSWwCCAAAgAgAoiIEIbIpKNjKAkZHHcABl1gGY2AeY2KGOCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
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