Basic information
- CAS
17692-24-9- Standard SMILES
O=C1Nc2ccccc2OC1(c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
BPKUDUSVDVLOPY-UHFFFAOYSA-N- Molecular formula
- C20H15NO4
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.10010796
Overview
Bisoxatin is a diarylmethane.
Names & identifiers
- Preferred name
- Bisoxatin
- IUPAC
- 2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one
- English name
- bisoxatin
- Molecular formula
- C20H15NO4
- Molecular weight
- 333.34
Names & synonyms
BISOXATIN17692-24-9BisoxatinaBisoxatineBisoxatinumBisoxatin [INN:BAN]LA271ABisoxatine [INN-French]Bisoxatinum [INN-Latin]Bisoxatina [INN-Spanish]EINECS 241-681-6UNII-7C75N0L7FP
Show more names
LA 271ALA-271A2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one2H-1,4-Benzoxazin-3(4H)-one, 2,2-bis(4-hydroxyphenyl)-2,2-Bis(4-hydroxyphenyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
Bisoxatin (INN)2,2-Bis(p-hydroxyphenyl)-2H-1,4-benzoxazin-3(4H)-oneBRN 05678247C75N0L7FP2,2-bis(4-hydroxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-3-oneBISOXATIN [INN]2,2-Bis(4-hydroxyphenyl)-2H-1,4-benzoxazin-3(4H)-oneBISOXATIN [WHO-DD]
Database identifiers
- CAS
17692-24-9- PubChem CID
- 28689
- DTXSID
DTXSID00170217- ChEBI
CHEBI:135955- UNII
- 7C75N0L7FP
- EC Number
- 241-681-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 284 °C · 284 °C
- Boiling point
- 609 · 609.0±55.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- pka
- 9.15 · 9.15±0.30(Predicted)
- FDA UNII
- 7 C75N0L7FP · 7C75N0L7FP
- ATC code
- 6 AB09 · A06AB09
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
A06AB09
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
PharmacodynamicsBisoxatin is a stimulant laxative which increases peristalsis and inhibits the absorbtion of water and ions in the intestine. This increases the water content of the feces and increases its movement through the intestine.
Mechanism of ActionThe precise mechanism of the bisoxatin's stimulant effect and inhibition of water and ion movement is unknown.
Metabolism/MetabolitesAbsorbed compound is metabolized to bisoxatin glucuronide.
Absorption, Distribution and Excretion
Once dissociated from acetate, some bisoxatin is absorbed with a Tmax of 4 h.
Primarily excreted in the feces 48-72 h after administration as the free parent compound with a small amount remaining as the acetate salt. Bisoxatin glucuronide and a trace amount of parent compound are eliminated in the urine.
Applications
UsesLaxative.
Suppliers24 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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