CAS No.: 83919-23-7 — Mometasone Furoate (莫米松糠酸酯)

1. Primary Information

English name:	Mometasone Furoate
CAS No.:	83919-23-7
Molecular formula:	C₂₇H₃₀Cl₂O₆
Molecular weight:	521.4 g/mol
SMILES:	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C
Structural class:
Other identifiers:	Asmanex Asmanex Twisthaler Elocon Furoate Monohydrate, Mometasone Furoate, Mometasone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	224	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in Acetonitrile	384	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	312	2-8℃	in stock	-
Kehua Intelligence	250mg	≥98%	390	2-8℃	in stock	-
Kehua Intelligence	1g	≥98%	944	2-8℃	in stock	-
Kehua Intelligence	5g	≥98%	2400	2-8℃	in stock	-
Kehua Intelligence	25g	≥98%	6240	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 65 69 0 1 0 0 0 0 0999 V2000 1.8866 1.4195 -0.7931 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6703 -2.7258 -2.2653 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 0.1521 -0.3803 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9043 -2.5735 -1.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8645 -2.5999 0.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7103 -0.1311 0.0725 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7233 2.4489 -0.7948 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0519 2.6062 -0.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6199 -1.4144 0.1115 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0465 -0.4167 1.0871 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5770 -0.5605 1.1509 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2227 -0.3362 -0.2746 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1101 -1.0201 0.3355 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7659 -0.5737 2.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0494 -1.1501 -1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2146 -0.8451 1.8825 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4994 -1.2123 -1.3578 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8099 -0.5008 -0.1966 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1911 0.3591 2.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4053 -2.9030 0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 0.2464 2.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3332 0.4247 0.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 -2.0222 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1855 0.2391 2.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2871 -1.9336 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4627 -0.1878 -1.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2659 1.3691 0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0684 -2.2585 -1.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3924 0.7513 -1.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7624 0.6020 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8645 1.5905 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8412 2.0557 -0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8778 2.9562 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5429 4.2054 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8631 3.9389 -0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1693 0.6053 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 -1.5826 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4021 -1.4206 2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 0.3205 3.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3703 -0.1648 -1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 -1.8819 -2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 -1.7789 2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8025 -0.8742 -2.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7938 0.0949 3.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9034 1.4030 2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9358 -3.1774 1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7651 -3.5752 -0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6424 -3.1545 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9972 -0.7329 2.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0953 0.9883 2.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 1.2415 1.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2371 -0.0144 2.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 0.3127 3.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7348 -2.3758 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -2.6224 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3476 -1.9367 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1621 -0.7873 -2.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 -3.0538 -2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.0125 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3815 -3.0757 -1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 -1.3669 -2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8237 0.9163 -2.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 2.7731 -0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1136 5.1782 -0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7458 4.5541 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 28 1 0 0 0 0 3 13 1 0 0 0 0 3 30 1 0 0 0 0 4 17 1 0 0 0 0 4 58 1 0 0 0 0 5 23 2 0 0 0 0 6 30 2 0 0 0 0 7 31 2 0 0 0 0 8 32 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 37 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 24 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 29 2 0 0 0 0 26 57 1 0 0 0 0 27 31 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 31 1 0 0 0 0 29 62 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 35 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate

4.2 InChI

InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1

4.3 InChIKey

WOFMFGQZHJDGCX-ZULDAHANSA-N

4.4 Canonical SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C

4.5 Isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C

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)