CAS No.: 11096-37-0 — Protirelin (-)

1. Primary Information

English name:	Protirelin
CAS No.:	11096-37-0
Molecular formula:	C₁₆H₂₂N₆O₄
Molecular weight:	362.38 g/mol
SMILES:	C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N
Structural class:
Other identifiers:	Abbott 38579 Abbott-38579 Abbott38579 Antepan Hydrate, Proterelin Tartrate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	BR，98%	96	2-8℃	in stock	-
Kehua Intelligence	50mg	BR，98%	304	2-8℃	in stock	-
Kehua Intelligence	100mg	BR，98%	560	2-8℃	in stock	-
Kehua Intelligence	500mg	BR，98%	2240	2-8℃	in stock	-
Kehua Intelligence	10mg	≥95%，Holo	200	2-8℃	in stock	-
Kehua Intelligence	50mg	≥95%，Holo	640	2-8℃	in stock	-
Kehua Intelligence	250mg	≥95%，Holo	2400	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 48 50 0 1 0 0 0 0 0999 V2000 0.3238 1.2829 -1.4643 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4747 1.7243 -1.5121 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9077 0.1139 1.4236 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 2.1084 1.0928 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7475 1.1657 0.3566 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0605 -0.7241 -0.5779 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 0.1232 0.6229 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 3.9535 -0.9729 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1561 -3.8395 -0.0352 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -5.1631 0.3413 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1818 2.5559 0.3183 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8494 2.7905 1.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3243 0.4648 1.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3846 1.4109 2.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3278 -0.7452 -0.2171 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7880 0.6611 -0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4223 -0.3509 -0.3573 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1559 2.6836 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1469 -1.7452 -1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5749 0.6281 -1.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0693 -0.2941 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0483 1.9200 -0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7558 1.4374 0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 -3.1377 -0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 -3.9752 -0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7198 -5.0491 0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3303 3.2215 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6383 3.5477 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 3.0922 2.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -0.5036 1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5316 0.3119 2.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5432 1.2927 3.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3405 1.2333 1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 -0.9619 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6658 -1.3804 -0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8139 -1.7772 -2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 -1.4425 -1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3615 0.2723 -2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6733 0.7873 -2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3104 -1.0082 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7274 2.4836 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2032 2.5486 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -0.4252 1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3323 4.1601 -1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 4.7309 -0.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 -3.5247 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 -3.7873 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 -5.7952 0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 18 2 0 0 0 0 3 21 2 0 0 0 0 4 23 2 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 40 1 0 0 0 0 7 17 1 0 0 0 0 7 23 1 0 0 0 0 7 43 1 0 0 0 0 8 18 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 24 1 0 0 0 0 9 26 1 0 0 0 0 9 46 1 0 0 0 0 10 25 1 0 0 0 0 10 26 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 34 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 19 24 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 24 25 2 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

4.2 InChI

InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1

4.3 InChIKey

XNSAINXGIQZQOO-SRVKXCTJSA-N

4.4 Canonical SMILES

C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N

4.5 Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N

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)