CAS No.: 78755-81-4 — Flumazenil (氟马西尼)

1. Primary Information

English name:	Flumazenil
CAS No.:	78755-81-4
Molecular formula:	C₁₅H₁₄FN₃O₃
Molecular weight:	303.29 g/mol
SMILES:	CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C
Structural class:
Other identifiers:	Anexate Flumazenil Flumazepil Lanexat Ro 15 1788

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25mg	HPLC≥98%	224	2-8℃	in stock	-
Kehua Intelligence	25mg	≥98%	208	2-8℃	in stock	-
Kehua Intelligence	100mg	≥98%	480	2-8℃	in stock	-
Kehua Intelligence	500mg	≥98%	1040	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 38 0 0 0 0 0 0 0999 V2000 -5.7272 -0.8101 0.3800 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 2.4685 -1.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2769 -0.5993 -0.0985 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3604 1.2760 0.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 -0.8919 -0.1417 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 2.0975 0.0939 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 -1.6872 -0.5484 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7021 0.0517 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 1.2748 1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6044 -0.8208 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.4039 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9504 -0.4535 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7263 1.7397 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 -1.9354 -0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 -2.0274 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1362 3.3646 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7029 0.3852 0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7059 -2.0218 0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2102 0.1666 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 -0.8170 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5936 -0.0858 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 -1.0784 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 1.0174 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 1.8507 1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1465 -2.8387 -1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8184 -2.9920 0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1214 3.1658 -0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2444 3.9888 0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 3.8969 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2774 1.3093 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2446 -2.9596 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7046 0.8719 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7423 0.0649 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 -0.7167 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4945 -2.0466 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4573 -1.2526 -1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 13 2 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 19 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 12 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 19 1 0 0 0 0 14 25 1 0 0 0 0 15 18 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

4.2 InChI

InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3

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)