sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-17-en-16-one

(1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-17-en-16-one

CAS No.:
3093-35-4
Catalog Number:
AG00I5SS
Molecular Formula:
C24H32ClFO5
Molecular Weight:
454.9593
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$156
- +
5g
98%
In Stock USA
United States
$406
- +
10g
98%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG00I5SS
Chemical Name:
(1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-17-en-16-one
CAS Number:
3093-35-4
Molecular Formula:
C24H32ClFO5
Molecular Weight:
454.9593
MDL Number:
MFCD00866006
IUPAC Name:
(1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
InChI:
InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChI Key:
MUQNGPZZQDCDFT-JNQJZLCISA-N
SMILES:
ClCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CCC1=CC(=O)CC[C@]21C)F)(C)C
EC Number:
221-439-6
UNII:
SI86V6QNEG
Properties
Complexity:
887  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
454.192g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
454.963g/mol
Monoisotopic Mass:
454.192g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Demonstration of the biphasic release of 0.1% halcinonide cream. Journal of drugs in dermatology : JDD 20150101
Clobetasol and Halcinonide Act as Smoothened Agonists to Promote Myelin Gene Expression and RxRγ Receptor Activation. PloS one 20150101
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology 20111201
Profiling of a prescription drug library for potential renal drug-drug interactions mediated by the organic cation transporter 2. Journal of medicinal chemistry 20110714
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Allergic contact dermatitis from dichlorobenzyl alcohol in a patient with multiple contact allergies. Contact dermatitis 20090501
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Dead Sea extract sold under-the-counter. The British journal of dermatology 20030701
Tropical application of halcinonide cream reduces the severity and incidence of intraperitoneal adhesions in a rat model. American journal of surgery 20020701
Clobetasol propionate cream versus halcinonide cream in psoriasis. International journal of dermatology 19860601
A comparative study of amcinonide and halcinonide in the treatment of eczematous dermatitis. Cutis 19840801
A controlled comparison of amcinonide cream 0.1 percent and halcinonide cream 0.1 percent in the treatment of eczematous dermatitis. Cutis 19811001
Properties