Acylsalicylic acids

Description:

O-acylated derivatives of salicylic acid.

Ancestors:

Organic compounds ⮕ Benzenoids ⮕ Benzene and substituted derivatives ⮕ Benzoic acids and derivatives ⮕ Hydroxybenzoic acid derivatives ⮕ Salicylic acid and derivatives ⮕ Acylsalicylic acids and derivatives ⮕ Acylsalicylic acids

Dipyrocetyl
- ≥98%
Cas Number: 486-79-3 Compound CID: 68093

Formula: C₁₁H₁₀O₆ Molecular Weight: 238.19

IUPAC Name: 2,3-diacetyloxybenzoic acid

SMILES: CC(=O)OC1=CC=CC(=C1OC(=O)C)C(=O)O

InChIKey: NYIZXMGNIUSNKL-UHFFFAOYSA-N

InChI: InChI=1S/C11H10O6/c1-6(12)16-9-5-3-4-8(11(14)15)10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)
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2-Acetoxy-5-bromobenzoic acid
- ≥95%
Cas Number: 1503-53-3 Compound CID: 73922

Formula: C₉H₇BrO₄ Molecular Weight: 259.05

IUPAC Name: 2-acetyloxy-5-bromobenzoic acid

SMILES: CC(=O)OC1=C(C=C(C=C1)Br)C(=O)O

InChIKey: VRJBEVQGJOSGOX-UHFFFAOYSA-N

InChI: InChI=1S/C9H7BrO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13)
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Valeroyl Salicylate
- ≥98%
Cas Number: 64206-54-8 Compound CID: 135269

Formula: C₁₂H₁₄O₄ Molecular Weight: 222.24

IUPAC Name: 2-pentanoyloxybenzoic acid

SMILES: CCCCC(=O)OC1=CC=CC=C1C(=O)O

InChIKey: WJHZBTMHUNVIKC-UHFFFAOYSA-N

InChI: InChI=1S/C12H14O4/c1-2-3-8-11(13)16-10-7-5-4-6-9(10)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)
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2-(Acetyloxy)-5-chlorobenzoic acid
- ≥97%
Cas Number: 1734-62-9

Formula: C₉H₇ClO₄ Molecular Weight: 214.6

IUPAC Name: 2-acetyloxy-5-chlorobenzoic acid

SMILES: CC(=O)OC1=C(C=C(C=C1)Cl)C(=O)O

InChIKey: CNWHHQWYXIPHGY-UHFFFAOYSA-N

InChI: InChI=1S/C9H7ClO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13)

Synonyms: CNWHHQWYXIPHGY-UHFFFAOYSA-N | IDI1_015076 | 2-acetyloxy-5-chlorobenzoic acid | SCHEMBL329298 | Maybridge3_003689 | Z9...
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Carbasalate Calcium
- 10mM in DMSO
Cas Number: 5749-67-7

Formula: Ca(C₉H₇O₄)₂.CH₄N₂O Molecular Weight: 458.43

IUPAC Name: calcium;2-acetyloxybenzoate;urea

SMILES: CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2]

InChIKey: VYMUGTALCSPLDM-UHFFFAOYSA-L

InChI: InChI=1S/2C9H8O4.CH4N2O.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;/h2*2-5H,1H3,(H,11,12);(H4,2,3,4);/q;;;+2/p-2

Synonyms: Carbasalate calcium|5749-67-7|CARBASPIRIN CALCIUM|Alcacyl|Rheomin|Solupsan|Iromin|Omegin|Calcium carbaspirin|Carbaspi...
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Carbasalate Calcium
- ≥97%
Cas Number: 5749-67-7

Formula: Ca(C₉H₇O₄)₂.CH₄N₂O Molecular Weight: 458.43

IUPAC Name: calcium;2-acetyloxybenzoate;urea

SMILES: CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2]

InChIKey: VYMUGTALCSPLDM-UHFFFAOYSA-L

InChI: InChI=1S/2C9H8O4.CH4N2O.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;/h2*2-5H,1H3,(H,11,12);(H4,2,3,4);/q;;;+2/p-2

Synonyms: Alcacyl; Rheomin; Solupsan; Omegin | AKOS025401461 | Carbasalate calcium (INN) | Carbaspirin calium | D03385 | A83146...
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Acetylsalicylic Acid-d4
- ≥98%,≥98atom%D
Cas Number: 97781-16-3

Formula: C₉H₄D₄O₄ Molecular Weight: 184.18

IUPAC Name: 2-acetyloxy-3,4,5,6-tetradeuteriobenzoic acid

SMILES: CC(=O)OC1=CC=CC=C1C(=O)O

InChIKey: BSYNRYMUTXBXSQ-QFFDRWTDSA-N

InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i2D,3D,4D,5D

Synonyms: Aspirin-d4 | 2-Acetoxybenzoic-3,4,5,6-d4 Acid | Aspro-d4 | Angettes-d4 | Acylpyrin-d4
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Acetylsalicylic Acid-d3
Cas Number: 921943-73-9

Formula: C₉H₅D₃O₄ Molecular Weight: 183.18

IUPAC Name: 2-(2,2,2-trideuterioacetyl)oxybenzoic acid

SMILES: CC(=O)OC1=CC=CC=C1C(=O)O

InChIKey: BSYNRYMUTXBXSQ-FIBGUPNXSA-N

InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i1D3

Synonyms: 2-(2,2,2-trideuterioacetyl)oxybenzoic acid | Trideuteriomethylaspirin | Acetylsalicylic Acid;ASA | MS-22975 | 2-(Acet...
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Triflusal
- ≥99%
Cas Number: 322-79-2 EC Number: 206-297-5 Compound CID: 9458

Formula: C₁₀H₇F₃O₄ Molecular Weight: 248.16

IUPAC Name: 2-acetyloxy-4-(trifluoromethyl)benzoic acid

SMILES: CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O

InChIKey: RMWVZGDJPAKBDE-UHFFFAOYSA-N

InChI: InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)

Synonyms: Aflen | AKOS015890393 | SCHEMBL136423 | 2-Acetoxy-4-trifluoromethylbenzoic acid | 2-Acetoxy-4-trifluoromethyl-benzoic...
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DL-Lysine Acetylsalicylate
- ≥98%
Cas Number: 62952-06-1

Formula: C₁₅H₂₂N₂O₆ Molecular Weight: 326.34

IUPAC Name: 2-acetyloxybenzoic acid;2,6-diaminohexanoic acid

SMILES: CC(=O)OC1=CC=CC=C1C(=O)O.C(CCN)CC(C(=O)O)N

InChIKey: JJBCTCGUOQYZHK-UHFFFAOYSA-N

InChI: InChI=1S/C9H8O4.C6H14N2O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4-2-1-3-5(8)6(9)10/h2-5H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)

Synonyms: AKOS025402349 | Aspidol | Asl | DL-Lysine acetylsalicylate | SCHEMBL25877 | Aspegic | Aspirisine | Vetalgine | Egical...
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Acetylsalicylic acid（ASA）
- ≥99%
Cas Number: 50-78-2 EC Number: 200-064-1

Formula: C₉H₈O₄ Molecular Weight: 180.16

IUPAC Name: 2-acetyloxybenzoic acid

SMILES: CC(=O)OC1=CC=CC=C1C(=O)O

InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N

InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)

Synonyms: ASA | Acesal | Acetisal | Aspirdrops | Solpyron | A.S.A. empirin | Acetosal | Benaspir | Contrheuma retard | Acido ac...
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Acetylsalicylic acid
- ≥99%
Cas Number: 50-78-2 EC Number: 200-064-1

Formula: C₉H₈O₄ Molecular Weight: 180.16

IUPAC Name: 2-acetyloxybenzoic acid

SMILES: CC(=O)OC1=CC=CC=C1C(=O)O

InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N

InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)

Synonyms: ASA | Acesal | Acetisal | Aspirdrops | Solpyron | A.S.A. empirin | Acetosal | Benaspir | Contrheuma retard | Acido ac...
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