CAS No.: 202480-68-0 — Chloramphenicol D5 (氯霉素-D5)

1. Primary Information

English name:	Chloramphenicol D5
CAS No.:	202480-68-0
Molecular formula:	C₁₁H₁₂Cl₂N₂O₅
Molecular weight:	328.16 g/mol
SMILES:	C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methanol	1600	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	1600	2-8℃	in stock	-
Kehua Intelligence	1mg	CP：98%，atom：98%	2000	2-8℃	in stock	-
Kehua Intelligence	5mg	CP：98%，atom：98%	8000	2-8℃	in stock	-
Kehua Intelligence	10mg	CP：98%，atom：98%	11200	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 32 32 0 1 0 0 0 0 0999 V2000 -6.1312 0.7335 0.7228 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.6549 -1.8409 -0.5724 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6549 -0.9830 -1.8342 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2508 2.7015 0.3069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5806 -0.8417 1.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9894 0.5352 0.0182 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5099 -1.2427 1.2133 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 0.2491 -0.3337 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1652 -0.3033 0.4563 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3055 0.2620 0.1476 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3346 0.1705 -1.0493 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1187 0.0456 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0907 1.4920 1.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 0.9667 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5246 -0.9908 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7058 -0.3107 0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 0.8512 -0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8652 -1.1064 0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7999 -0.1855 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0371 -0.2022 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -0.6301 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4712 1.0387 -1.7060 H 1 0 0 0 0 0 0 0 0 0 0 0 -0.0876 1.4867 1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8147 1.5012 1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8787 0.7344 -1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7515 1.7796 -1.7791 H 1 0 0 0 0 0 0 0 0 0 0 0 0.8153 -1.7258 0.5593 H 1 0 0 0 0 0 0 0 0 0 0 0 -1.5905 -0.9118 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0941 1.5868 -1.1444 H 1 0 0 0 0 0 0 0 0 0 0 0 3.1458 -1.9281 1.2109 H 1 0 0 0 0 0 0 0 0 0 0 0 -1.0998 3.4332 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9622 0.2983 -1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 3 11 1 0 0 0 0 3 28 1 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 25 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 20 32 1 0 0 0 0 M CHG 2 6 -1 9 1 M ISO 5 22 2 26 2 27 2 29 2 30 2

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,2-dichloro-N-[(1R,2R)-1-deuterio-1,3-dihydroxy-1-(2,3,5,6-tetradeuterio-4-nitrophenyl)propan-2-yl]acetamide

4.2 InChI

InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1/i1D,2D,3D,4D,9D

4.3 InChIKey

WIIZWVCIJKGZOK-CJBPKKHQSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]

4.5 Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[C@]([2H])([C@@H](CO)NC(=O)C(Cl)Cl)O)[2H])[2H])[N+](=O)[O-])[2H]

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)