CAS No.: 176199-48-7 — Eglumetad (Eglumegad (LY354740) )

1. Primary Information

English name:	Eglumetad
CAS No.:	176199-48-7
Molecular formula:	C₈H₁₁NO₄
Molecular weight:	185.18 g/mol
SMILES:	C1CC(C2C1C2C(=O)O)(C(=O)O)N
Structural class:
Other identifiers:	(+)-(1S,2S,5R,6S)-2-aminobicyclo(3.1.0)hexane-2,6-dicarboxylic acid 2-aminobicyclo(3.1.0)hexane-2,6-dicarboxylic acid eglumetad LY 314582 LY 354740

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	98%	680	2-8℃	in stock	-
Kehua Intelligence	10mg	98%	960	2-8℃	in stock	-
Kehua Intelligence	50mg	98%	4000	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 25 0 1 0 0 0 0 0999 V2000 -3.6747 0.2402 -0.9719 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0919 -1.2323 0.6676 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4677 -0.1257 -0.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2011 -1.5651 0.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2512 -0.1500 -1.9251 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1903 -0.4146 0.0481 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6537 0.5657 1.0759 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4775 0.3449 -0.1635 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1325 0.0652 -0.4912 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3603 1.6703 1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1914 1.5622 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8093 -0.3151 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2933 -0.6456 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2567 -1.4764 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0104 0.2071 2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4438 1.1406 -0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 1.5076 2.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1134 2.6520 1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7073 2.1717 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 1.9708 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5198 0.3595 -2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1124 -1.1358 -2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5588 -0.1831 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2394 -0.5758 0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 23 1 0 0 0 0 2 12 2 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 13 2 0 0 0 0 5 9 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

4.2 InChI

InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1

4.3 InChIKey

VTAARTQTOOYTES-RGDLXGNYSA-N

4.4 Canonical SMILES

C1CC(C2C1C2C(=O)O)(C(=O)O)N

4.5 Isomeric SMILES

C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)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)