40828-46-4

Name Dolasteron
CAS 40828-46-4
EINECS(EC#) 255-096-9
Molecular Formula C14H12O3S
MDL Number MFCD00079572
Molecular Weight 260.308
MOL File 40828-46-4.mol
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Chemical Properties

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 Data

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 Products

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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