Flestolol sulfate [USAN] supplier

Name
Flestolol Sulfate
EINECS
CAS No. 88844-73-9
Density 1.242g/cm3
Solubility
Melting Point
Formula C₁₅H₂₄FN₃O₈S
Boiling Point 491.3 °C at 760 mmHg
Molecular Weight 425.4298
Flash Point 250.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid,2-fluoro-,3-[[2-[(aminocarbonyl)- amino]-1,1-dimethylethyl]amino]-2-hydroxypropyl ester,sulfate (1:1) (salt);o-Fluorobenzoic acid, 3-ester with (+-)-(2-((2,3-dihydroxypropyl)amino)-2-methylpropyl)urea, sulfate (1:1) (salt);Benzoic acid, 2-fluoro-, 3-((2-((aminocarbonyl)amino)-1,1-dimethylethyl)amino)-2-hydroxypropyl ester, (+-)-, sulfate (1:1) (salt);FLESTOLOL SULFATE;[3-[[1-(carbamoylamino)-2-methyl-propan-2-yl]amino]-2-hydroxy-propyl] 2-fluorobenzoate; sulfuric acid;
PSA 197.65000
LogP 2.10350

Flestolol sulfate [USAN] Specification

The Flestolol sulfate [USAN] is an organic compound with the formula C₁₅H₂₄FN₃O₈S. The IUPAC name of this chemical is [3-[[1-(Carbamoylamino)-2-methylpropan-2-yl]amino]-2-hydroxypropyl] 2-fluorobenzoate; sulfuric acid. With the CAS registry number 88844-73-9, it is also named as Flestolol sulfate. Besides, its molecular weight is 425.4298.

Physical properties about Flestolol sulfate [USAN] are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.64; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 14.89; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 62.32 Å²; (13)Flash Point: 250.9 °C; (14)Enthalpy of Vaporization: 79.83 kJ/mol; (15)Boiling Point: 491.3 °C at 760 mmHg; (16)Vapour Pressure: 1.81E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H22FN3O4.H2O4S/c1-15(2,9-18-14(17)22)19-7-10(20)8-23-13(21)11-5-3-4-6-12(11)16;1-5(2,3)4/h3-6,10,19-20H,7-9H2,1-2H3,(H3,17,18,22);(H2,1,2,3,4)
(2)InChIKey: QLCLNERFMKNCBZ-UHFFFAOYAH
(3)Std. InChI: InChI=1S/C15H22FN3O4.H2O4S/c1-15(2,9-18-14(17)22)19-7-10(20)8-23-13(21)11-5-3-4-6-12(11)16;1-5(2,3)4/h3-6,10,19-20H,7-9H2,1-2H3,(H3,17,18,22);(H2,1,2,3,4)
(4)Std. InChIKey: QLCLNERFMKNCBZ-UHFFFAOYSA-N

Product Name

Flestolol Sulfate

Flestolol sulfate [USAN] Specification

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