Basic information
- CAS
1222-87-3- Standard SMILES
Cc1ccccc1OP1(=O)OCc2ccccc2O1- InChIKey
LKQSEFCGKYFESN-UHFFFAOYSA-N- Molecular formula
- C14H13O4P
- Average molar mass
- 276.22 g/mol
- Monoisotopic mass
- 276.05514589
Overview
cyclic metabolite of tri-o-cresyl phosphate; synergist for cholinesterase inhibitors
Names & identifiers
- Preferred name
- Cresyl saligenin phosphate
- IUPAC
- 2-(2-methylphenoxy)-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
- English name
- 2-(2-Methylphenoxy)-4H-1,3,2-benzodioxaphosphorin 2-oxide
- Molecular formula
- C14H13O4P
- Molecular weight
- 276.22
Names & synonyms
1222-87-34H-1,3,2-Benzodioxaphosphorin, 2-(2-methylphenoxy)-, 2-oxide2-(2-Cresyl)-4H-1-3-2-benzodioxaphosphorin-2-oxideSCOTPo-TSPcresylsaligenin phosphate0-tosylsaligenin phosphate2-tolylsaligenin phosphate2-tosylsaligenin phosphate2-TSLPHsaligenin cyclic-3-tolylphosphateRefChem:919182
Show more names
o-Tolyl saligenin phosphate2-(o-cresyl)-4h-1,3,2-benzodioxaphoran-2-one3,2-benzodioxaphosphorin,2-(o-tolyloxy)-4h-2-oxidephosphoricacid,cyclicmethylene-o-phenyleneo-tolylester3,2-benzodioxaphosphorin,2-(2-methylphenoxy)-4h-2-oxide2-(2-METHYLPHENOXY)-4H-1,3,2-BENZODIOXAPHOSPHORIN 2-OXIDE
Cresyl saligenin phosphate2-(o-cresyl)-4H-1-3-2-benzodioxaphosphorin-2-oxideCBDP2-(o-Tolyloxy)-4H-benzo[d][1,3,2]dioxaphosphinine 2-oxideMFCD007988152-(2-methylphenoxy)-4H-1,3,2lambda5-benzodioxaphosphinine 2-oxideBRN 2538084C14H13O4P
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Boiling point
- 362.4 · 362.4±42.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
UsesPlasma carboxylic-ester hydrolase (EC3.1.1.1) is a very important detoxification route for the toxic stereoisomers of soman. Detoxification is meant in the sense that if soman was bound to carbox-ylic-ester hydrolase, it was not free to inhibit acetylcholinesterase. CBDP (2-(2-Methylphenoxy)-4H-1,3,2-benzodioxaphosphorin 2-oxide) pretreatment, which inhibited irreversibly carboxylic-ester hydrolase activity without inhibiting phosphoryl phosphatase activity, potentiated the toxicity of soman in mice. In toxicity experiments, CBDP (0.5 mg/kg; iv 1 hr prior to soman) pretreatment potentiated the toxicity of C(±)P(±)-, C(+)P()-, and C()P()-soman to a similar degree[1].
Suppliers8 total
韶远科技（上海）有限公司4000665055 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
维赛诺化学技术（北京）有限公司13811761079 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
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Compound notes
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