CAS No.: 139-91-3 — Furaltadone (呋喃它酮)

1. Primary Information

English name:	Furaltadone
CAS No.:	139-91-3
Molecular formula:	C₁₃H₁₆N₄O₆
Molecular weight:	324.29 g/mol
SMILES:	C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-]
Structural class:
Other identifiers:	Altabactin furaltadon furaltadon hydrochloride, (S)-isomer furaltadon monohydrochloride furaltadon monohydrochloride, (S)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	HPLC≥98%	80	2-8℃	in stock	-
Kehua Intelligence	250mg	HPLC≥98%	224	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in ethanol	80	2-8℃	in stock	-
Kehua Intelligence	5g	BR，98%	400	2-8℃	in stock	-
Kehua Intelligence	25g	BR，98%	1200	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 39 41 0 1 0 0 0 0 0999 V2000 2.3771 -2.6731 0.7673 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2903 2.9811 -0.1154 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 -4.0585 -0.0924 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 0.6421 0.3586 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6951 1.8157 -0.0985 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0510 2.5210 1.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6992 0.6278 -0.2943 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -1.7532 0.1032 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7902 -1.6606 -0.3619 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5076 1.7070 0.3259 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5239 -0.8229 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5627 -1.2412 0.8351 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6095 1.0241 -1.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2092 1.1147 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 -0.6561 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 2.5398 -1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3949 2.6283 0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1463 -2.9373 0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4601 -0.6760 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8381 -0.4082 -0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6539 -1.0514 -1.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8777 -0.3419 -1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6936 0.6788 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9623 -1.0379 1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1365 -1.1692 -1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4816 -1.3431 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 0.5430 -1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 0.7143 -2.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5108 0.9280 1.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 0.6350 1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7725 -0.4360 1.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 0.2354 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5115 2.8306 -2.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8454 3.0575 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4398 3.1491 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8312 2.9855 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0797 0.0264 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 -1.9191 -1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7784 -0.5538 -1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 18 2 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 19 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 16 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 M CHG 2 5 -1 10 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-(morpholin-4-ylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

4.2 InChI

InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+

4.3 InChIKey

YVQVOQKFMFRVGR-VGOFMYFVSA-N

4.4 Canonical SMILES

C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-]

4.5 Isomeric SMILES

C1COCCN1CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-]

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)