CAS No.: 6284-40-8 — Meglumine (N-甲基-D-葡糖胺)

1. Primary Information

English name:	Meglumine
CAS No.:	6284-40-8
Molecular formula:	C₇H₁₇NO₅
Molecular weight:	195.21 g/mol
SMILES:	CNCC(C(C(C(CO)O)O)O)O
Structural class:
Other identifiers:	Meglumine Methylglucamine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100g	高纯，99%	40	RT	in stock	-
Kehua Intelligence	500g	高纯，99%	176	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 29 0 1 0 0 0 0 0999 V2000 -0.3018 2.3198 -0.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9145 -0.0423 -1.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 1.7714 0.2782 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 0.2478 1.6007 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0957 -2.0373 0.1037 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 -0.8347 -0.1839 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0918 1.0188 0.2367 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9314 -0.0167 -0.2883 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5394 0.7493 -0.2307 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3761 0.2704 0.1756 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0536 -0.6129 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3986 -0.7318 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 -2.1018 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 1.0375 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6501 -1.0120 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 0.8147 -1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6918 1.2650 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -1.4192 -0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -0.6437 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4197 -0.7453 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4025 -0.4821 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3563 2.9512 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 0.8523 -2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0205 -0.0753 0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 1.7353 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0134 1.0673 1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3381 -2.9431 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9497 -2.1229 1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 -2.2500 -0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 -2.0033 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 3 9 1 0 0 0 0 3 25 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 12 1 0 0 0 0 5 30 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

4.2 InChI

InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1

4.3 InChIKey

MBBZMMPHUWSWHV-BDVNFPICSA-N

4.4 Canonical SMILES

CNCC(C(C(C(CO)O)O)O)O

4.5 Isomeric SMILES

CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)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)