Completing data — usually done within a minute
Basic information
- CAS
82640-04-8- Standard SMILES
Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12- InChIKey
BKXVVCILCIUCLG-UHFFFAOYSA-N- Molecular formula
- C28H28ClNO4S
- Average molar mass
- 510 g/mol
- Monoisotopic mass
- 509.14275706
Overview
Raloxifene hydrochloride is a hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride. It has a role as a bone density conservation agent, an estrogen receptor modulator and an estrogen antagonist. It contains a raloxifene(1+).
Names & identifiers
- Preferred name
- Raloxifene Hydrochloride
- IUPAC
- [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
Names & synonyms
RALOXIFENE HYDROCHLORIDE82640-04-8Raloxifene HclEvistaKeoxifene hydrochlorideOptrumaRaloxifene TevaDTXSID1034181LY156758LY 156758NSC-706725LY-156758
Show more names
4F86W47BR6DTXCID9014181CHEBI:50740NSC706725[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone hydrochlorideLY139481OstiralRazylan
Database identifiers
- CAS
82640-04-8- PubChem CID
- 54900
- DTXSID
DTXSID1034181- ChEMBL
CHEMBL1116- ChEBI
CHEBI:50740- UNII
- 4F86W47BR6
- EC Number
- 639-789-7
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 655
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
EMA approved medicines: Human medicine
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
Collision Cross Section213.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Safety & regulation
GHS classification
GHS Classification
Danger
H351 (82.4%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesCarc. 2 (82.4%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Raloxifene hydrochloride
vLess-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
RALOXIFENE HYDROCHLORIDE
Estrogen Agonist/Antagonist [EPC]; Selective Estrogen Receptor Modulators [MoA]
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.
A structurally diverse group of compounds distinguished from ESTROGENS by their ability to bind and activate ESTROGEN RECEPTORS but act as either an agonist or antagonist depending on the tissue type and hormonal milieu. They are classified as either first generation because they demonstrate estrogen agonist properties in the ENDOMETRIUM or second generation based on their patterns of tissue specificity. (Horm Res 1997;48:155-63)
Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS.
Related reactions
26 records
Compound notes
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