CAS No.: 41937-02-4 — Brombuterol (溴布特罗盐酸盐)

1. Primary Information

English name:	Brombuterol
CAS No.:	41937-02-4
Molecular formula:	C₁₂H₁₈BR₂N₂O
Molecular weight:	366.09 g/mol
SMILES:	CC(C)(C)NCC(C1=CC(=C(C(=C1)Br)N)Br)O
Structural class:
Other identifiers:	brombuterol brombuterol monohydrochloride bromobuterol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	832	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	312	2-8℃	in stock	-
Kehua Intelligence	10mg	HPLC≥98%	800	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 35 0 1 0 0 0 0 0999 V2000 -2.8216 3.1159 -0.0510 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.1341 -2.4460 0.7437 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -0.4335 -2.2427 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0647 -0.5354 -0.4025 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 0.6497 0.6813 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0695 0.1027 0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 -0.1514 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6691 -0.8190 -0.8813 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4614 -0.3235 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 1.6229 0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8539 -0.3384 1.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7325 -0.4290 -0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -1.4192 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 0.9098 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3763 1.2694 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9256 -1.0597 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2972 0.2846 0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -1.5496 -0.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5005 -0.4395 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5988 0.9290 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -1.9093 -0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2482 0.1397 0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5916 -1.4101 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6319 -0.0292 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0523 2.0215 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8529 1.9469 -0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7919 2.1237 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7149 -0.0462 2.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 0.1226 2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 -1.4277 1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3371 -2.4649 -0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3749 1.6776 -0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 -0.6519 -2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2754 -0.0657 0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8766 1.6248 0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 3 8 1 0 0 0 0 3 33 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 18 1 0 0 0 0 5 17 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-(4-amino-3,5-dibromophenyl)-2-(tert-butylamino)ethanol

4.2 InChI

InChI=1S/C12H18Br2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3

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)