Gallic acid and derivatives

Description:

Compounds containing a 3,4,5-trihydroxybenzoic acid moiety.

Ancestors:

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

Gallic acid monohydrate
- ≥99%
Cas Number: 5995-86-8 EC Number: 205-749-9

Formula: C₇H₈O₆ Molecular Weight: 188.14

IUPAC Name: 3,4,5-trihydroxybenzoic acid;hydrate

SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O.O

InChIKey: IUTKPPDDLYYMBE-UHFFFAOYSA-N

InChI: InChI=1S/C7H6O5.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);1H2

Synonyms: 3,4,5-Trihydroxybezoic acid | 3,4,5-Trihydroxybenzoic acid monohydrate | 3,4,5-Trihydroxybenzoic
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Pricing Close
Isopropyl 4-Hydroxy-3，5-dimethoxybenzoate
- ≥95%
Cas Number: 858131-80-3 Compound CID: 71581293

Formula: C₁₂H₁₆O₅ Molecular Weight: 240.25

IUPAC Name: propan-2-yl 4-hydroxy-3,5-dimethoxybenzoate

SMILES: CC(C)OC(=O)C1=CC(=C(C(=C1)OC)O)OC

InChIKey: UFDMGVMGWSSNPP-UHFFFAOYSA-N

InChI: InChI=1S/C12H16O5/c1-7(2)17-12(14)8-5-9(15-3)11(13)10(6-8)16-4/h5-7,13H,1-4H3
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Pricing Close
Methyl 3，4-dihydroxy-5-methoxybenzoate
- ≥99%
Cas Number: 3934-86-9 Compound CID: 99622

Formula: C₉H₁₀O₅ Molecular Weight: 198.17

IUPAC Name: methyl 3,4-dihydroxy-5-methoxybenzoate

SMILES: COC1=CC(=CC(=C1O)O)C(=O)OC

InChIKey: LVVUKXKEXOTUPV-UHFFFAOYSA-N

InChI: InChI=1S/C9H10O5/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,10-11H,1-2H3
Details

Pricing Close
Ethyl 4-hydroxy-3，5-dimethoxybenzoate
- ≥97%
Cas Number: 3943-80-4 Compound CID: 19845

Formula: C₁₁H₁₄O₅ Molecular Weight: 226.23

IUPAC Name: ethyl 4-hydroxy-3,5-dimethoxybenzoate

SMILES: CCOC(=O)C1=CC(=C(C(=C1)OC)O)OC

InChIKey: WKUVKFZZCHINKG-UHFFFAOYSA-N

InChI: InChI=1S/C11H14O5/c1-4-16-11(13)7-5-8(14-2)10(12)9(6-7)15-3/h5-6,12H,4H2,1-3H3
Details

Pricing Close
3，5-Dihydroxy-4-methoxybenzoic Acid
- ≥95%(HPLC)
Cas Number: 4319-02-2 Compound CID: 78016

Formula: C₈H₈O₅ Molecular Weight: 184.15

IUPAC Name: 3,5-dihydroxy-4-methoxybenzoic acid

SMILES: COC1=C(C=C(C=C1O)C(=O)O)O

InChIKey: UBXDWYFLYYJQFR-UHFFFAOYSA-N

InChI: InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)
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Methyl 4-bromo-7-methoxybenzo[d][1,3]dioxole-5-carboxylate
- ≥97%
Cas Number: 81474-46-6 Compound CID: 11449108

Formula: C₁₀H₉BrO₅ Molecular Weight: 289.08

IUPAC Name: methyl 4-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate

SMILES: COC1=C2C(=C(C(=C1)C(=O)OC)Br)OCO2

InChIKey: LBTTXOWOLNELBG-UHFFFAOYSA-N

InChI: InChI=1S/C10H9BrO5/c1-13-6-3-5(10(12)14-2)7(11)9-8(6)15-4-16-9/h3H,4H2,1-2H3
Details

Pricing Close
11-O-Syringylbergenin
- ≥98%
Cas Number: 126485-47-0

IUPAC Name: [(2S,3R,4R,4aS,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoatshow more

SMILES: COC1=CC(=CC(=C1O)OC)C(=O)OCC2C(C(C3C(O2)C4=C(C(=C(C=C4C(=O)O3)O)OC)O)O)O

InChIKey: GXCBETDJJWPGAQ-PCOXRIKQSA-N

InChI: InChI=1S/C23H24O13/c1-31-11-4-8(5-12(32-2)15(11)25)22(29)34-7-13-16(26)18(28)21-20(35-13)14-9(23(30)36-21)6-10(24)19(33-3)17(14)27/h4-6,13,16,18,20-21show more
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Pricing Close
Gallic acid-d2
Cas Number: 294660-92-7

Formula: C₇H₄D₂O₅ Molecular Weight: 172.13

IUPAC Name: 2,6-dideuterio-3,4,5-trihydroxybenzoic acid

SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O

InChIKey: LNTHITQWFMADLM-QDNHWIQGSA-N

InChI: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)/i1D,2D

Details

Pricing Close
CDE-096
- ≥98%
Cas Number: 1228357-04-7 Compound CID: 59350299

Formula: C₂₅H₂₀F₃NO₁₂ Molecular Weight: 583.42

IUPAC Name: [3-[[3-(trifluoromethyl)phenoxy]carbonylamino]-2-(3,4,5-trihydroxybenzoyl)oxypropyl] 3,4,5-trihydroxybenzoate

SMILES: C1=CC(=CC(=C1)OC(=O)NCC(COC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C(F)(F)F

InChIKey: OXWKLJPAKUDPJY-UHFFFAOYSA-N

InChI: InChI=1S/C25H20F3NO12/c26-25(27,28)13-2-1-3-14(8-13)41-24(38)29-9-15(40-23(37)12-6-18(32)21(35)19(33)7-12)10-39-22(36)11-4-16(30)20(34)17(31)5-11/h1-8show more
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Pricing Close
dilazep
Cas Number: 35898-87-4 Compound CID: 3074

IUPAC Name: 3-{4-[3-(3,4,5-trimethoxybenzoyloxy)propyl]-1,4-diazepan-1-yl}propyl 3,4,5-trimethoxybenzoate

SMILES: COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC

InChIKey: QVZCXCJXTMIDME-UHFFFAOYSA-N

InChI: InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4show more

Synonyms: Dilazep [INN] | D07843 | NCGC00016747-05 | Q5276700 | SR-01000075817-3 | F8KLC2BD5Z | NCGC00016747-01 | NCGC00016747-...
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Pricing Close
TMB-8
Cas Number: 57818-92-5 Compound CID: 5494

IUPAC Name: 8-(diethylamino)octyl 3,4,5-trimethoxybenzoate

SMILES: CCN(CCCCCCCCOC(=O)c1cc(OC)c(c(c1)OC)OC)CC

InChIKey: IBQMHBGFMLHHLE-UHFFFAOYSA-N

InChI: InChI=1S/C22H37NO5/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4/h16-17H,6-15H2,1-5H3

Synonyms: TMB-8|8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate|57818-92-5|8-(N,N-Diethylamino)octyl-3,4,5-trimethoxybenzoate|T9...
Details

Pricing Close
Gallic acid monohydrate
- ≥98%
Cas Number: 5995-86-8 EC Number: 205-749-9

Formula: C₇H₈O₆ Molecular Weight: 188.14

IUPAC Name: 3,4,5-trihydroxybenzoic acid;hydrate

SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O.O

InChIKey: IUTKPPDDLYYMBE-UHFFFAOYSA-N

InChI: InChI=1S/C7H6O5.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);1H2

Synonyms: BCP15870 | 3,4,5-Trihydroxybenzoic acid monohydrate | NCI60_003085 | 48339473OT | Gallic Acid Monohydrate,(S) | SCHEM...
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