CAS No.: 29110-47-2 — Guanfacine (氯酰胍；胍法辛)

1. Primary Information

English name:	Guanfacine
CAS No.:	29110-47-2
Molecular formula:	C₉H₉Cl₂N₃O
Molecular weight:	246.09 g/mol
SMILES:	C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl
Structural class:
Other identifiers:	BS 100 141 BS-100-141 BS100141 Estulic Guanfacine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	-	1656	2-8°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 24 0 0 0 0 0 0 0999 V2000 0.3268 -2.5685 -0.3483 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5577 2.7422 -0.4689 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8331 0.5627 1.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 0.9415 0.0895 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7329 0.1053 -0.4353 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -1.3299 0.1316 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0681 0.0585 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.3802 -0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4479 -1.2654 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9932 1.0878 -0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7669 -1.5633 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 0.7896 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 0.6137 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -0.5360 0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4099 -0.0184 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7878 -0.4102 -1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 1.2661 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0847 -2.5910 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0509 1.5784 0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7259 -0.7681 0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3334 -0.7059 -0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1432 1.0150 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7269 -2.0767 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 -1.6105 0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 3 13 2 0 0 0 0 4 13 1 0 0 0 0 4 15 2 0 0 0 0 5 15 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 15 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 20 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide

4.2 InChI

InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)

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)