Halcinonide

Names

[ Name ]:
Halcinonide

[Synonym ]:
Alcinonide
Halcort
21-Chloro-9a-fluoro-11b-hydroxy-16a,17a-isopropylidenedioxy-4-pregnene-3,20-dione
Halcimat
(11b,16a)-21-Chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(chloroacétyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tétraméthyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tétradécahydro-2H-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-2-one
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 6b-(2-chloroacetyl)-4b-fluoro-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-, (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-
UNII-SI86V6QNEG
Halciderm
2H-naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 6b-(chloroacetyl)-4b-fluoro-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-, (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-
Halog
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(Chloracetyl)-4b-fluor-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
EINECS 221-439-6
halcinomide
Halcinonide
MFCD00866006
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(Chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
UNII:SI86V6QNEG

Biological Activity

[Description]:

Halcinonide (SQ-18566) is a high potency corticosteroid used topically in the treatment of certain skin conditions.

[Related Catalog]:

Signaling Pathways >> Stem Cell/Wnt >> Smo

Research Areas >> Others

[References]

[1]. Pujos E, et al. Comparison of the analysis of corticosteroids using different techniques. Anal Bioanal Chem. 2005 Jan;381(1):244-54.

[Related Small Molecules]

SAG.HCI | Purmorphamine | LDE225 (NVP-LDE225,Erismodegib) | PF-04449913 | Jervine | LY2940680 | BMS-833923 | LEQ506 | MK-4101 | MRT-83 | PF-5274857 | Saridegib

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
564.3±50.0 °C at 760 mmHg

[ Molecular Formula ]:
C₂₄H₃₂ClFO₅

[ Molecular Weight ]:
454.959

[ Flash Point ]:
295.1±30.1 °C

[ Exact Mass ]:
454.192230

[ PSA ]:
72.83000

[ LogP ]:
3.31

[ Vapour Pressure ]:
0.0±3.5 mmHg at 25°C

[ Index of Refraction ]:
1.567

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TU5010200

CHEMICAL NAME :: Pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11-beta,16-alpha,17-trihydroxy-, cyclic 16,17-acetal with acetone

CAS REGISTRY NUMBER :: 3093-35-4

BEILSTEIN REFERENCE NO. :: 1358242

LAST UPDATED :: 199612

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C24-H32-Cl-F-O5

MOLECULAR WEIGHT :: 455.01

WISWESSER LINE NOTATION :: T F5 E5 B666 GO IO RV PUTJ A1 BF CQ E1 FV1G H1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 39800 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 95500 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 409 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4375 ug/kg/1W-I

TOXIC EFFECTS :: Endocrine - changes in adrenal weight Endocrine - changes in spleen weight Endocrine - changes in thymus weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4375 ug/kg/5W-I

TOXIC EFFECTS :: Endocrine - changes in thymus weight Blood - changes in bone marrow (not otherwise specified) Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 455 mg/kg/13W-I

TOXIC EFFECTS :: Endocrine - changes in adrenal weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Primate - monkey

DOSE/DURATION :: 45500 ug/kg/13W-I

TOXIC EFFECTS :: Endocrine - changes in adrenal weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 136 mg/kg/13W-I

TOXIC EFFECTS :: Endocrine - changes in adrenal weight Nutritional and Gross Metabolic - other changes

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Rodent - mouse Cells - not otherwise specified

DOSE/DURATION :: 1 nmol/L

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 36,1782,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6056 No. of Facilities: 16 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 794 (estimated) No. of Female Employees: 419 (estimated)

Safety Information

[ Symbol ]:

GHS08

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H361

[ Precautionary Statements ]:
P280

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R63

[ Safety Phrases ]:
S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
TU5010200

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds

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