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Home> Hot Product Listed H   > halcinonide
3093-35-4 structure

halcinonide

CAS No.:3093-35-4
EINECS(EC#): 221-439-6
Molecular Weight:454.963
Molecular Formula:C24H32ClFO5 (isomer)
Names and Identifiers
Synonyms

(11?,16?)-21-chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregn-4-ene-3,20-dione (11|a,16|a)-21-chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione (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),?.0?,?.0(1)(3),(1)?]icos-17-en-16-one (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 093h354 21-chloro-9-alpha-fluoro-11-beta-hydroxy-16-alpha,17-alpha-isopropylidenedioxypregn-4-ene-3,20-dione 21-chloro-9-fluoro-11beta,16alpha,17-trihydroxypregn-4-ene-3,20-dione cyclic 16,17-acetal with acetone 5-19-06-00301 (beilstein handbook reference) AC-1114 AC-1774 AC1L9FG3 adcortin AKOS015962797 alcinonide AN-14636 ascochrom BC214763 betacorton BPBIO1_000759 BRD-K81709173-001-03-8 brn 1358242 BSPBIO_000689 c24h32clfo5 cas-3093-35-4 CCG-220655 CHEBI:31663 CHEMBL1200845 D01308 D06IIB DB06786 dsstox_cid_25375 dsstox_gsid_45375 dsstox_rid_80836 DTXSID6045375 einecs 221-439-6 halciderm halcimat halcinonid halcinonida halcinonida [inn-spanish] halcinonide (jan/usp/inn) halcinonide [usan:usp:inn:ban:jan] halcinonide, united states pharmacopeia (usp) reference standard halcinonidum halcinonidum [inn-latin] halcort halog halog (tn) halog-e HMS1570C11 HMS2097C11 HMS2230O07 HY-B0877 MLS002153935 MOLPORT-005-937-976 NCGC00016621-01 NCGC00179475-01 NCGC00179475-03 P753 PL009175 pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11-beta,16-alpha,17-trihydroxy-, cyclic16,17-acetal with acetone pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)- PRESTWICK_1069 PRESTWICK0_000655 PRESTWICK1_000655 PRESTWICK2_000655 PRESTWICK3_000655 Q-201180 S4098 SC-80633 SCHEMBL4335 SI86V6QNEG smr001233277 so-18566 SPBIO_002610 sq 18566 sq-18,566 sq-18566 tox21_110530 tox21_110530_1 unii-si86v6qneg volog ZINC4213474

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
InChkey
MUQNGPZZQDCDFT-JNQJZLCISA-N
Canonical Smiles
CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C
Isomers Smiles
CC1(O[C@@H]2C[C@H]3C4CCC5=CC(=O)CCC5([C@]4(C(CC3([C@@]2(O1)C(=O)CCl)C)O)
F)C)C
Properties
Density
1.31
Boiling Point
564.3 °C at 760 mmHg
Refractive Index
1.566
Flash Point
295.1 °C
Solubility
4E-15 (25 C)
Stability
Stable at normal temperatures and pressures.
Storage temp
Keep tightly closed. Store in a cool dry place.
Safety and Handling
Hazard Codes
Xn
Risk Statements
R63
Safety Statements
S36
Safety

Poison by subcutaneous and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of F and Cl.
Safety Information about Halcinonide (3093-35-4):
Hazard Codes: 
Xn:
Risk Statements Halcinonide (3093-35-4): 
R63: Possible risk of harm to the unborn child.
Safety Statements Halcinonide (3093-35-4):  
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: TU5010200

Toxicity
1.    

dni-mus:oth 1 nmol/L

    ARZNAD    Arzneimittel-Forschung. Drug Research. 36 (1986),1782.
2.    

ipr-rat LD50:39,800 µg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),349.
3.    

scu-rat LD50:95,500 µg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),349.
4.    

ipr-mus LD50:150 mg/kg

    PBPSDY    Pharmacological and Biochemical Properties of Drug Substances. 1 (1977),215.
5.    

scu-mus LD50:409 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),349.
Specification

  The chemical synonyms of Halcinonide (3093-35-4) are 20-Dione,21-chloro-9-fluoro-11-beta,16-alpha,17-trihydroxy-pregn-4-ene-cyc ; Halciderm ; Halcimat ; Halcort ; Halog ; Lic16,17-acetalwithacetone ; (11b,16a)-21-Chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregn-4-ene-3,20-dione ; Halcinonide .It was dissolved in chloroform, in methanol or ethanol, slightly soluble in water-insoluble.This product is the cortical hormone medicines, it can be used for treatment of  psoriasis and eczema dermatitis embolism.
 

Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 3093-35-4 EC: 221-439-6 halcinonide ·ECHA C&L Inventory for CAS: CAS: 3093-35-4 EC: 221-439-6 halcinonide
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H361 Suspected of damaging fertility or the unborn child

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

Computational chemical data
  • Molecular Weight:454.963g/mol
  • Molecular Formula:C24H32ClFO5
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.6
  • Exact Mass:454.192
  • Monoisotopic Mass:454.192
  • Complexity:887
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:72.8A^2
  • Heavy Atom Count:31
  • 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: AAADcfB4OQAEAAAAAAAAAAAAAAAAAaIAAAAwYIAAAAASAGDAAAAAGwIACAAAD1eggEICCAAABgCI AqBSAAIAAAAgAAAACAFAAkhREBYBAQQiQAAEoAAOAQPI7PzPgAAAAAAAAADAAAYAADAAAYAADCAA AA==
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