CAS No.: 53902-12-8 — Tranilast (Tranilast)

1. Primary Information

English name:	Tranilast
CAS No.:	53902-12-8
Molecular formula:	C₁₈H₁₇NO₅
Molecular weight:	327.3 g/mol
SMILES:	COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC
Structural class:
Other identifiers:	1 N-(3'-4'-dimethoxycinnamoyl) anthranilic acid (N-5'), N(3',4'-dimethoxycinnamoyl) anthranilic acid (N-5') 2-((3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)amino)benzoic acid MK-341 MK341 N (3', 4'-dimethoxycinnamoyl) anthranilic acid (N-5')

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	98%	28	2-8℃	in stock	-
Kehua Intelligence	1g	98%	46	2-8℃	in stock	-
Kehua Intelligence	5g	98%	139	2-8℃	in stock	-
Kehua Intelligence	25g	98%	576	2-8℃	in stock	-
Kehua Intelligence	10mg	99%(HPLC)	185	2-8℃	in stock	-
Kehua Intelligence	50mg	99%(HPLC)	396	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 41 42 0 0 0 0 0 0 0999 V2000 -4.4911 -1.9927 -0.5234 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4824 -0.2129 0.2469 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 2.4305 -0.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7706 -3.0349 -0.4478 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8959 -2.4162 0.6787 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 0.2121 0.0131 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 1.0329 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 0.3554 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1825 -0.7054 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 -0.2828 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1819 0.1878 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5255 1.9261 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.7606 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8534 1.5036 0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1414 1.4737 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2104 1.6332 -0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 0.6596 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8846 -0.5952 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3217 1.2233 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5951 1.7987 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4321 0.6845 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -2.1114 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4747 -2.9470 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2648 -0.0622 -0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1085 -1.0022 -0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2885 2.9551 0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6268 2.2044 0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9975 2.5504 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9348 -0.7446 0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6401 2.5479 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1532 -0.4175 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5649 -1.4410 0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0231 2.7945 -0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5102 0.8139 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2024 -2.6782 1.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4731 -3.0188 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7472 -3.9221 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8390 -0.6476 -1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3299 0.9928 -1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2729 -0.4316 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 -3.9409 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 2 11 1 0 0 0 0 2 24 1 0 0 0 0 3 19 2 0 0 0 0 4 22 1 0 0 0 0 4 41 1 0 0 0 0 5 22 2 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 29 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 13 1 0 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 18 2 0 0 0 0 13 22 1 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid

4.2 InChI

InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+

4.3 InChIKey

NZHGWWWHIYHZNX-CSKARUKUSA-N

4.4 Canonical SMILES

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC

4.5 Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)