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CAS No.: | 16110-51-3 |
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Name: | Cromoglicic acid |
Molecular Structure: | |
Formula: | C23H16O11 |
Molecular Weight: | 512.337 |
Synonyms: | 4H-1-Benzopyran-2-carboxylicacid, 5,5'-[(2-hydroxytrimethylene)dioxy]bis[4-oxo- (8CI);1,3-Bis(2-carboxychromon-5-yloxy)-2-hydroxypropane;1,3-Bis(2-carboxychromon-5-yloxy)propan-2-ol;1,3-Bis(2-carboxychromone-7-yloxy)-2-hydroxypropane;1,3-Di(2-carboxy-4-oxochromen-5-yloxy)propan-2-ol;5,5'-(2-Hydroxy-1,3-propanediyldioxy)bis(4-oxo-4H-1-benzopyran-2-carboxylicacid);5,5'-(2-Hydroxytrimethylenedioxy)bis(4-oxochromene-2-carboxylic acid);5,5'-(2-Hydroxytrimethylenedioxy)bis[4-oxo-4H-1-benzopyran-2-carboxylic acid];Cromoglicic acid;Cromoglycic acid;Cromolyn;Duracroman; |
EINECS: | 240-279-8 |
Density: | 1.623 g/cm3 |
Melting Point: | 241-242 °C |
Boiling Point: | 752.3 °C at 760 mmHg |
Flash Point: | 263.9 °C |
Appearance: | Solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 173.71000 |
LogP: | 2.11450 |
disodium cromoglicate
cromoglicinic acid
Conditions | Yield |
---|---|
With hydrogenchloride In water pH=3; | 66% |
With hydrogenchloride In water pH=3; | 66% |
With hydrogenchloride In water at 20℃; pH=2; |
disodium cromoglicate
A
cromoglicinic acid
Conditions | Yield |
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In disodium salt of cromolyn |
cromoglicinic acid
tert-butyl N-(3-{2-[2-(3-aminopropoxy)ethoxy]ethoxy}propyl)carbamate
C38H46N2O15
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; | 67% |
cromoglicinic acid
N,N-dimethylformamide di-tert-butyl acetal
Conditions | Yield |
---|---|
In toluene Reflux; | 30% |
cromoglicinic acid
Conditions | Yield |
---|---|
With water-d2; sodium hydrogencarbonate; rhodium(III) chloride 1.) dioxane, reflux, 12 h; Multistep reaction; |
methanol
cromoglicinic acid
1,3-bis(2-methoxycarbonylchromon-5-yloxy)propan-2-ol
Conditions | Yield |
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With hydrogenchloride Heating; |
Conditions | Yield |
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for 1h; Heating; |
cromoglicinic acid
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 1 h / Heating 2: 0.034 g / acetic acid; acetic anhydride / 1.5 h / Heating View Scheme |
cromoglicinic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: HCl / Heating 2: acetic acid / 1.5 h / Heating View Scheme |
cromoglicinic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: HCl / Heating 2: 7.8 percent / aq. HClO4 / methanol / 0.83 h / Heating View Scheme |
IUPAC Name: 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid
Empirical Formula: C23H16O11
Molecular Weight: 468.3665g/mol
EINECS: 240-279-8
Structure of 4H-1-Benzopyran-2-carboxylicacid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo- (CAS NO.16110-51-3):
Index of Refraction: 1.681
Molar Refractivity: 109.17 cm3
Molar Volume: 288.5 cm3
Polarizability: 43.28×10-24cm3
Surface Tension: 82.9 dyne/cm
Density: 1.623 g/cm3
Flash Point: 263.9 °C
Enthalpy of Vaporization: 115.04 kJ/mol
Melting Point: 241-242°C
Boiling Point: 752.3 °C at 760 mmHg
Vapour Pressure: 8.92E-24 mmHg at 25°C
Product Categories: Pharmaceutical
Canonical SMILES: C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O
InChI: InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)
InChIKey: IMZMKUWMOSJXDT-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | > 2150mg/kg (2150mg/kg) | United States Patent Document. Vol. #4407810, |
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 2
RTECS: DJ2380000
Hazardous Substances Data: 16110-51-3(Hazardous Substances Data)
4H-1-Benzopyran-2-carboxylicacid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo- , its cas register number is 16110-51-3. It also can be called 1,3-Bis(2-carboxychromon-5-yloxy)-2-hydroxypropane ; 1,3-Di(2-carboxy-4-oxochromen-5-yloxy)propan-2-ol ; 5,5'-(2-Hydroxytrimethylenedioxy)bis(4-oxochromene-2-carboxylic acid) ; Acide cromoglicique ; Acido cromoglicico ; Acidum cromoglicicum ; Cromoglicic acid ; Cromoglycic acid ; Cromolyn ; HSDB 3308 ; UNII-Y0TK0FS77W . 4H-1-Benzopyran-2-carboxylicacid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo- (CAS NO.16110-51-3) is a solid which is irritating to eyes, respiratory system and skin.