CAS No.: 1868118-63-1 — (2S)-2-(4-Hydroxybutanoylamino)butanamide (S-左乙拉西坦羟丁胺类似物)

1. Primary Information

English name:	(2S)-2-(4-Hydroxybutanoylamino)butanamide
CAS No.:	1868118-63-1
Molecular formula:	C₈H₁₆N₂O₃
Molecular weight:	188.22 g/mol
SMILES:	CCC(C(=O)N)NC(=O)CCCO
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	-	6480	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 28 0 1 0 0 0 0 0999 V2000 0.8101 -0.7294 -1.5192 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6007 0.0923 0.0147 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5357 1.8419 0.7096 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5279 0.1305 0.1722 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0163 0.7742 -0.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8019 -0.1705 -0.4382 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3053 -1.5692 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 0.2752 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 -0.0420 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6836 -0.1790 -0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7906 0.9286 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5786 -1.7616 1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3826 0.4090 0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6691 -0.1310 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5595 -2.3124 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2209 -1.8057 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5256 0.5737 1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7692 1.3571 0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -0.2104 1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3023 0.4308 -1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3045 -1.1199 -0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3604 -1.0835 1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9157 -2.7862 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6769 -1.5925 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3478 1.4900 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3652 -0.1041 1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2094 0.0315 -1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7685 1.4331 -0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 0.3896 0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 13 1 0 0 0 0 2 29 1 0 0 0 0 3 11 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 5 11 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S)-2-(4-hydroxybutanoylamino)butanamide

4.2 InChI

InChI=1S/C8H16N2O3/c1-2-6(8(9)13)10-7(12)4-3-5-11/h6,11H,2-5H2,1H3,(H2,9,13)(H,10,12)/t6-/m0/s1

4.3 InChIKey

ZGIMRWMZOPFQMV-LURJTMIESA-N

4.4 Canonical SMILES

CCC(C(=O)N)NC(=O)CCCO

4.5 Isomeric SMILES

CC[C@@H](C(=O)N)NC(=O)CCCO

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)