CAS No.: 99614-02-5 — Ondansetron (Ondansetron)

1. Primary Information

English name:	Ondansetron
CAS No.:	99614-02-5
Molecular formula:	C₁₈H₁₉N₃O
Molecular weight:	293.4 g/mol
SMILES:	CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C
Structural class:
Other identifiers:	4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)- Dihydrate, Ondansetron Monohydrochloride GR 38032F GR-38032F GR38032F

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥98%	160	-20℃	in stock	-
Kehua Intelligence	10mg	≥99%(HPLC)	32	-20℃	in stock	-
Kehua Intelligence	100mg	≥99%(HPLC)	44	-20℃	in stock	-
Kehua Intelligence	1g	≥99%(HPLC)	64	-20℃	in stock	-
Kehua Intelligence	5g	≥99%(HPLC)	196	-20℃	in stock	-
Kehua Intelligence	25g	≥99%(HPLC)	800	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 41 44 0 1 0 0 0 0 0999 V2000 0.8253 1.0488 1.3014 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6613 -1.3397 -0.4516 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9959 0.1029 -0.5578 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7173 1.4580 -0.2637 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 -1.2331 0.7488 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6255 -2.5795 0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5502 -2.6918 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -1.4474 -0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9324 -0.2196 0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4288 -0.0313 0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 -1.1067 -0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0343 0.6775 0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1036 -0.0514 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 -2.4125 -0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 2.0395 0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3599 0.5168 -0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2713 0.2321 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 1.3090 -1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4876 2.6193 0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5321 1.8676 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 2.1346 -0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 -0.8932 0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 -1.1833 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2331 -2.6834 1.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3178 -3.4153 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -3.5740 0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1777 -2.8279 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 -1.0612 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8545 -1.9643 -0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9914 -2.8959 -0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1801 -2.0056 -1.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8264 -3.1292 -1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4334 2.6428 1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1826 -0.0592 -0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 1.4793 -1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6446 3.6686 0.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4967 2.3375 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7591 3.1811 -1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9959 -0.5507 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -1.3251 1.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 -1.6782 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 17 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one

4.2 InChI

InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3

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)