ChemicalBook--->CAS DataBase List--->40828-46-4

40828-46-4

40828-46-4 Structure

40828-46-4 Structure
IdentificationMore
[Name]

Dolasteron
[CAS]

40828-46-4
[Synonyms]

DOLASETRON
(+-)-2-(p-(2-thenoyl)phenyl)propionicacid
alpha-methyl-4-(2-thienylcarbonyl)-benzeneaceticaci
alpha-methyl-4-(2-thienylcarbonyl)benzeneaceticacid
maldocil
p-(2-thenoyl)-hydratropicaci
p-(2-thenoyl)hydratropicacid
r25061
a-Methyl-4-(2-thienylcarbonyl)benzeneacetic Acid
Masterfen
Srendam
Sulprotin
Suprocil
Suprol
Sutoprofen
Topalgic
DOLASETRON(FREE BASE)
Benzeneacetic acid, a-methyl-4-(2-thienylcarbonyl)-(9CI)
NSC 303611
Profenal
[EINECS(EC#)]

255-096-9
[Molecular Formula]

C14H12O3S
[MDL Number]

MFCD00079572
[Molecular Weight]

260.308
[MOL File]

40828-46-4.mol
Chemical PropertiesBack Directory
[Appearance]

Off-White to Light-Brown
[Melting point ]

278°C
[Boiling point ]

373.57°C (rough estimate)
[density ]

1.2959 (rough estimate)
[refractive index ]

1.5050 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Store in freezer, under -20°C
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 20 mg/ml; PBS (pH 7.2): 0.5 mg/ml
[form ]

Powder
[pka]

3.91(at 25℃)
[color ]

White to off-white
[Water Solubility ]

soluble
[Usage]

Bridged pseudopelletierine derivative; specific serotonin (5HT3) receptor antagonist. Antiemetic.
[InChI]

InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)
[InChIKey]

MDKGKXOCJGEUJW-UHFFFAOYSA-N
[SMILES]

C1(=CC=C(C(C)C(=O)O)C=C1)C(=O)C1SC=CC=1
[CAS DataBase Reference]

40828-46-4(CAS DataBase Reference)
Safety DataBack Directory
[RIDADR ]

3249
[WGK Germany ]

WGK 3
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

2934990002
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
[Toxicity]

LD50 (7 days post-drug) in mice, rats, guinea pigs, dogs (mg/kg): 590, 353, 280, 160 orally (Niemegeers)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium borohydride-->Furan-->Sodium periodate-->Osmium tetroxide-->Silver tetrafluoroborate-->4-Methylmorpholine-4-oxide solution-->ethyl cyclopent-3-ene-1-carboxylate-->dolasetron
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(2alpha,6alpha,8alpha,9abeta)-Octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl-1H-indole-3-carboxylate(40828-46-4).msds
Hazard InformationBack Directory
[Description]

Suprofen is an arylpropionic acid analgesic/antiinflammatory agent with close structural resemblance to ketoprofen. It is more potent in many assays than indomethacin and ketoprofen and appears better tolerated.
[Chemical Properties]

Off-White to Light-Brown
[Originator]

Janssen (Belgium)
[Uses]

Bridged pseudopelletierine derivative; specific serotonin (5HT3) receptor antagonist. Antiemetic.
[Uses]

Prostaglandin biosynthesis inhibitor. Analgesic
[Definition]

ChEBI: An aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group.
[Brand name]

Profenal (Alcon);Algiamida;Algiasdi;Bordol;Erdol;Masterfen;Sufenid;Supranol;Surfex;MALDOCIL.
[Veterinary Drugs and Treatments]

Suprofen is a non-steroidal anti-inflammatory agent similar to flurbiprofen. Suprofen and flurbiprofen are phenylalkanoic acids that inhibit the cyclo-oxygenase enzymes responsible for conversion of arachadonic acid from cell membranes into various prostaglandins. These prostaglandins mediate certain aspects of ocular inflammation including disruption of the blood-aqueous barrier, uveal vasodilation, increases in intraocular pressure, and leakage of white blood cells and protein from uveal vessels into the aqueous humor. Prostaglandins cause iris sphincter constriction (miosis) independent of cholinergic mechanisms. Suprofen can inhibit this intraocular miosis and may also be useful in the management of uveal inflammation (usually in addition to topical steroids).
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Suprofen(40828-46-4)1HNMR
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