Raloxifene hydrochloride (CAS 82640-04-8) — formula C28H27NO4S, molecular weight 473.6; category organic chemicals.
| CAS Number | 82640-04-8 |
|---|---|
| Molecular Formula | C28H27NO4S |
| Molecular Weight | 473.6 |
| Melting Point | 268-272 |
| LogP | 5.2 |
| Applications | Uses: Estrogen Antagonists, Selective Estrogen Receptor Modulators, Bone Density Conservation Agents, MEDICATION, Use Classification: Pharmaceuticals, Methods of Manufacturing: Condensation of alpha-bromo-p-methoxyacetophenone with m-methoxythiophenol using polyphosphoric acid yields alpha-(m-methoxyphenylthio)-p-methoxy-acetophenone, which is cyclized by a Friedel-Crafts-type reaction to form 2-(p-methoxyphenyl)-6-methoxybenzothiazole. The methoxyphenyl group apparently shifts from the theoretical 3- to the 2-position on the thiazole ring. The two methyl ether groups are removed and the resulting phenols reacted with methanesufonyl chloride to form the sulfonate ester (I). Methyl paraben is alkylated with 1-(2-chloroethyl)piperidine to yield the piperidinoethyl ether, the ester is hydrolyzed to the acid and converted to the acyl halide (II). Compound I is then acylated with II (Friedel-Crafts), which attaches the carbonyl group to the 3-position of the thiazole ring, and finally the sulfonate esters are hydrolyzed to the free base of the title compound., Preparation ... C. D. Jones, European Patent Office patent 62503, idem, United States of America patent 4418068 (1982, 1983 both to Lilly)., Formulations, Preparations: Table: Raloxifene Hydrochloride Preparations [Table#7118] |
| Category | Organic Chemicals |
Documented applications: Uses: Estrogen Antagonists, Selective Estrogen Receptor Modulators, Bone Density Conservation Agents, MEDICATION, Use Classification: Pharmaceuticals, Methods of Manufacturing: Condensation of alpha-bromo-p-methoxyacetophenone with m-methoxythiophenol using polyphosphoric acid yields alpha-(m-methoxyphenylthio)-p-methoxy-acetophenone, which is cyclized by a Friedel-Crafts-type reaction to form 2-(p-methoxyphenyl)-6-methoxybenzothiazole. The methoxyphenyl group apparently shifts from the theoretical 3- to the 2-position on the thiazole ring. The two methyl ether groups are removed and the resulting phenols reacted with methanesufonyl chloride to form the sulfonate ester (I). Methyl paraben is alkylated with 1-(2-chloroethyl)piperidine to yield the piperidinoethyl ether, the ester is hydrolyzed to the acid and converted to the acyl halide (II). Compound I is then acylated with II (Friedel-Crafts), which attaches the carbonyl group to the 3-position of the thiazole ring, and finally the sulfonate esters are hydrolyzed to the free base of the title compound., Preparation ... C. D. Jones, European Patent Office patent 62503, idem, United States of America patent 4418068 (1982, 1983 both to Lilly)., Formulations, Preparations: Table: Raloxifene Hydrochloride Preparations [Table#7118].
Raloxifene hydrochloride is a carbon-based organic compound with CAS registry number 82640-04-8 and molecular formula C28H27NO4S (molecular weight 473.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 82640-04-8
Its molecular formula C28H27NO4S comprises 28 C, 27 H, 1 N, 4 O, 1 S atoms.
Also known as: Raloxifene hydrochloride · 盐酸雷洛昔芬
Category: organic chemicals
The CAS registry number of Raloxifene hydrochloride is 82640-04-8.
Molecular formula C28H27NO4S, molecular weight 473.6.
It is also registered under: Raloxifene hydrochloride, 盐酸雷洛昔芬.
Recorded applications: Uses: Estrogen Antagonists, Selective Estrogen Receptor Modulators, Bone Density Conservation Agents, MEDICATION, Use Classification: Pharmaceuticals, Methods of Manufacturing: Condensation of alpha-bromo-p-methoxyacetophenone with m-methoxythiophenol using polyphosphoric acid yields alpha-(m-methoxyphenylthio)-p-methoxy-acetophenone, which is cyclized by a Friedel-Crafts-type reaction to form 2-(p-methoxyphenyl)-6-methoxybenzothiazole. The methoxyphenyl group apparently shifts from the theoretical 3- to the 2-position on the thiazole ring. The two methyl ether groups are removed and the resulting phenols reacted with methanesufonyl chloride to form the sulfonate ester (I). Methyl paraben is alkylated with 1-(2-chloroethyl)piperidine to yield the piperidinoethyl ether, the ester is hydrolyzed to the acid and converted to the acyl halide (II). Compound I is then acylated with II (Friedel-Crafts), which attaches the carbonyl group to the 3-position of the thiazole ring, and finally the sulfonate esters are hydrolyzed to the free base of the title compound., Preparation ... C. D. Jones, European Patent Office patent 62503, idem, United States of America patent 4418068 (1982, 1983 both to Lilly)., Formulations, Preparations: Table: Raloxifene Hydrochloride Preparations [Table#7118].
Category: Organic Chemicals.
Independent reference data for Raloxifene hydrochloride (CAS 82640-04-8), compiled from public chemistry databases.
| CAS Registry Number | 82640-04-8 |
|---|---|
| PubChem CID | 5035 |
| Molecular formula | C28H27NO4S |
| IUPAC name | [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone |
| UNII (FDA) | YX9162EO3I |
| Molecular Weight | 473.6 |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 473.16607952 |
| Monoisotopic Mass | 473.16607952 |
| Topological Polar Surface Area | 98.2 |
| Heavy Atom Count | 34 |
| Melting Point | 268-272 |
|---|---|
| Melting Point | 143-147 °C |
| Melting Point | 143 - 147 °C |
| Solubility | 5.12e-04 g/L |
| LogP | 5.2 |
| LogP | 4.48 |
raloxifene; 84449-90-1; Keoxifene; Raloxifeno; Raloxifenum; Raloxifenum [Latin]; Raloxiphene; LY-139481; Eviden; Raxeto; LY 139481; DTXSID3023550; NSC-747974; YX9162EO3I; J22.982B; (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone
| Reported hazard statements | H302 (33.3%), H311 (66.7%), H315 (33.3%), H319 (33.3%), H332 (33.3%), H335 (33.3%), H360 (66.7%), H411 (66.7%) |
|---|
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (66.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]
Raloxifene hydrochloride · CAS 82640-04-8 · C28H27NO4S. UNII YX9162EO3I. Melting Point: 268-272; Melting Point: 143-147 °C; Melting Point: 143 - 147 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 盐酸雷洛昔芬