CAS No.: 121808-62-6 — Pidotimod (匹多莫德)

1. Primary Information

English name:	Pidotimod
CAS No.:	121808-62-6
Molecular formula:	C₉H₁₂N₂O₄S
Molecular weight:	244.27 g/mol
SMILES:	C1CC(=O)NC1C(=O)N2CSCC2C(=O)O
Structural class:
Other identifiers:	3-((5-oxo-2-pyrrolidinyl)carbonyl)-4-thiazolidinecarboxylic acid 3-pyroglutamylthiazolidine-4-carboxylic acid 3-pyroglutamylthiazolidine-4-carboxylic acid, (R-(R,S))-isomer Adimod PGT-1A

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥98%	96	2-8℃	in stock	-
Kehua Intelligence	1g	98%	68	2-8℃	in stock	-
Kehua Intelligence	5g	98%	196	2-8℃	in stock	-
Kehua Intelligence	25g	98%	664	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 29 0 1 0 0 0 0 0999 V2000 -3.0365 2.0537 -0.2523 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 -0.9981 1.0444 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5933 -0.5297 0.6979 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 -2.3548 0.2213 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2353 -1.0757 -1.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9342 0.5265 0.2579 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 0.7128 0.7305 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4654 0.9021 -0.1162 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0945 -0.2211 0.7325 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9387 0.4230 -1.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0484 0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0259 -0.6029 -1.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2455 0.7412 0.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2634 1.7633 -0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 -0.1553 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4166 -1.2336 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2365 1.9673 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8232 -0.7582 1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 1.2596 -2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 0.0005 -2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8197 -0.5987 -1.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6101 -1.6102 -1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2292 0.2719 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1621 1.1955 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 2.6007 0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 1.6707 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 1.1340 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1611 -3.0286 -0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 11 2 0 0 0 0 3 15 2 0 0 0 0 4 16 1 0 0 0 0 4 28 1 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid

4.2 InChI

InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1

4.3 InChIKey

UUTKICFRNVKFRG-WDSKDSINSA-N

4.4 Canonical SMILES

C1CC(=O)NC1C(=O)N2CSCC2C(=O)O

4.5 Isomeric SMILES

C1CC(=O)N[C@@H]1C(=O)N2CSC[C@H]2C(=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)