CAS No.: 84057-84-1 — Lamotrigine (拉莫三嗪 )

1. Primary Information

English name:	Lamotrigine
CAS No.:	84057-84-1
Molecular formula:	C₉H₇Cl₂N₅
Molecular weight:	256.09 g/mol
SMILES:	C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N
Structural class:
Other identifiers:	3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine 3,5-diamino-6-(2,3-dichlorophenyl)-as-triazine BW 430C BW-430C BW430C

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	160	2-8℃	in stock	-
Kehua Intelligence	250mg	HPLC≥98%	320	2-8℃	in stock	-
Kehua Intelligence	1g	98%	28	2-8℃	in stock	-
Kehua Intelligence	5g	98%	80	2-8℃	in stock	-
Kehua Intelligence	25g	98%	320	2-8℃	in stock	-
Kehua Intelligence	100g	98%	880	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 24 0 0 0 0 0 0 0999 V2000 -1.0017 2.2965 -0.1127 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1511 1.7166 -0.0594 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2737 -0.0193 1.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8011 -0.0380 -0.9795 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8518 -0.4162 -2.2701 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 0.1627 1.4011 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7019 0.3371 0.3458 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -0.3938 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7176 -0.2067 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6123 0.6751 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2065 -1.6959 0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4719 -0.2158 -1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9875 0.4419 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5814 -1.9291 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 -0.8603 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3076 0.1451 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 -2.5423 0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9587 -2.9430 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5402 -1.0612 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 -0.4197 -3.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 -0.0995 -2.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1228 0.4782 1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2642 0.3309 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 13 1 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 4 12 1 0 0 0 0 4 16 2 0 0 0 0 5 12 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 16 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine

4.2 InChI

InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)

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)

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)