Fluticasone propionate, min.97% (NMR)

Name: Fluticasone propionate
Brand: Chempure

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CAS Number

80474-14-2

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IUPAC name	[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
inchi	InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
inchi key	WMWTYOKRWGGJOA-CENSZEJFSA-N
molecular formula	C25H31F3O5S
synonyms	FLUTICASONE PROPIONATE 80474-14-2 Flovent Cutivate Flixotide
Compound Description	Fluticasone Propionate can cause developmental toxicity according to state or federal government labeling requirements. Fluticasone propionate is a trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a propionyl substituent at position 17; has anti-inflammatory, anti-asthmatic and anti-allergic activity. It has a role as an anti-allergic agent, an anti-asthmatic drug, an anti-inflammatory drug, a dermatologic drug, a bronchodilator agent and an adrenergic agent. It is a corticosteroid, a steroid ester, an 11beta-hydroxy steroid, a propanoate ester, a fluorinated steroid, a thioester and a 3-oxo-Delta,Delta-steroid. It is functionally related to a fluticasone. It derives from a hydride of an androstane. Fluticasone propionate is a synthetic glucocorticoid. These drugs are available as inhalers, nasal, sprays, and topical treatments for various inflammatory indications. Fluticasone propionate was first approved in 1990. Fluticasone Propionate is the propionate salt form of fluticasone, a synthetic trifluorinated glucocorticoid receptor agonist with antiallergic, antiinflammatory and antipruritic effects. Binding and activation of the glucocorticoid receptor results in the activation of lipocortin that in turn inhibits cytosolic phospholipase A2, which triggers cascade of reactions involved in synthesis of inflammatory mediators, such as prostaglandins and leukotrienes. Secondly, mitogen-activated protein kinase phosphatase 1 is induced, thereby leads to dephosphorylation and inactivation of Jun N-terminal kinase directly inhibiting c-Jun mediated transcription. Finally, transcriptional activity of nuclear factor -kappa-B is blocked, thereby inhibits the transcription of cyclooxygenase 2, which is essential for prostaglandin production. FLUTICASONE PROPIONATE is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 1990 and has 12 approved and 15 investigational indications. A STEROID with GLUCOCORTICOID RECEPTOR activity that is used to manage the symptoms of ASTHMA; ALLERGIC RHINITIS, and ATOPIC DERMATITIS. See also: Fluticasone ; Fluticasone propionate; salmeterol xinafoate ; Azelastine hydrochloride; fluticasone propionate ... View More ...

Computed Properties

Molecular Weight:	500.6 g/mol
XLogP3:	4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	9
Rotatable Bond Count:	6
Exact Mass:	500.18442974 Da
Monoisotopic Mass:	500.18442974 Da
Topological Polar Surface Area:	106 Å²
Heavy Atom Count:	34
Formal Charge:	0
Complexity:	984
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	9
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (21.1%) Skin Sens. 1 (10.5%) Resp. Sens. 1 (10.5%) Repr. 1B (47.4%) Repr. 2 (36.8%) STOT RE 2 (63.2%) Aquatic Chronic 1 (15.8%) Aquatic Chronic 4 (21.1%)
precautionary statement codes	P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P318, P319, P321, P330, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501
hazard statements	H302 (21.1%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (10.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] H334 (10.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H360 (47.4%): May damage fertility or the unborn child [Danger Reproductive toxicity] H361 (36.8%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H373 (63.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H410 (15.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H413 (21.1%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

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IUPAC name	[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
inchi	InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
inchi key	WMWTYOKRWGGJOA-CENSZEJFSA-N
molecular formula	C25H31F3O5S
synonyms	FLUTICASONE PROPIONATE 80474-14-2 Flovent Cutivate Flixotide
Compound Description	Fluticasone Propionate can cause developmental toxicity according to state or federal government labeling requirements. Fluticasone propionate is a trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a propionyl substituent at position 17; has anti-inflammatory, anti-asthmatic and anti-allergic activity. It has a role as an anti-allergic agent, an anti-asthmatic drug, an anti-inflammatory drug, a dermatologic drug, a bronchodilator agent and an adrenergic agent. It is a corticosteroid, a steroid ester, an 11beta-hydroxy steroid, a propanoate ester, a fluorinated steroid, a thioester and a 3-oxo-Delta,Delta-steroid. It is functionally related to a fluticasone. It derives from a hydride of an androstane. Fluticasone propionate is a synthetic glucocorticoid. These drugs are available as inhalers, nasal, sprays, and topical treatments for various inflammatory indications. Fluticasone propionate was first approved in 1990. Fluticasone Propionate is the propionate salt form of fluticasone, a synthetic trifluorinated glucocorticoid receptor agonist with antiallergic, antiinflammatory and antipruritic effects. Binding and activation of the glucocorticoid receptor results in the activation of lipocortin that in turn inhibits cytosolic phospholipase A2, which triggers cascade of reactions involved in synthesis of inflammatory mediators, such as prostaglandins and leukotrienes. Secondly, mitogen-activated protein kinase phosphatase 1 is induced, thereby leads to dephosphorylation and inactivation of Jun N-terminal kinase directly inhibiting c-Jun mediated transcription. Finally, transcriptional activity of nuclear factor -kappa-B is blocked, thereby inhibits the transcription of cyclooxygenase 2, which is essential for prostaglandin production. FLUTICASONE PROPIONATE is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 1990 and has 12 approved and 15 investigational indications. A STEROID with GLUCOCORTICOID RECEPTOR activity that is used to manage the symptoms of ASTHMA; ALLERGIC RHINITIS, and ATOPIC DERMATITIS. See also: Fluticasone ; Fluticasone propionate; salmeterol xinafoate ; Azelastine hydrochloride; fluticasone propionate ... View More ...

Computed Properties

Molecular Weight:	500.6 g/mol
XLogP3:	4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	9
Rotatable Bond Count:	6
Exact Mass:	500.18442974 Da
Monoisotopic Mass:	500.18442974 Da
Topological Polar Surface Area:	106 Å²
Heavy Atom Count:	34
Formal Charge:	0
Complexity:	984
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	9
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (21.1%) Skin Sens. 1 (10.5%) Resp. Sens. 1 (10.5%) Repr. 1B (47.4%) Repr. 2 (36.8%) STOT RE 2 (63.2%) Aquatic Chronic 1 (15.8%) Aquatic Chronic 4 (21.1%)
precautionary statement codes	P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P318, P319, P321, P330, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501
hazard statements	H302 (21.1%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (10.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] H334 (10.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H360 (47.4%): May damage fertility or the unborn child [Danger Reproductive toxicity] H361 (36.8%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H373 (63.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H410 (15.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H413 (21.1%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Product No: DT8471

Fluticasone propionate, min.97% (NMR)

Product No: DT8471

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CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

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Product No: DT8471

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?