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Glatiramer Acetate
CAS: 147245-92-9 | C25H45N5O13
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
147245-92-9
Molecular Formula:
C25H45N5O13
Molecular Mass:
623.66 g/mol
Names and Synonyms:
Glatiramer Acetate
L-Glutamic acid, polymer with L-alanine, L-lysine and L-tyrosine, acetate (salt)
L-Alanine, polymer with L-glutamic acid, L-lysine and L-tyrosine, acetate (salt)
L-Lysine, polymer with L-alanine, L-glutamic acid and L-tyrosine, acetate (salt)
L-Tyrosine, polymer with L-alanine, L-glutamic acid and L-lysine, acetate (salt)
L-Glutamic acid peptide with L-alanine, L-lysine and L-tyrosine, acetate (salt)
Cop 1
Cop 1 (polyamide)
Glatiramer acetate
Copaxone
Copolymer 1
Protiramer
TV 5010
511: PN: WO2010103292 PAGE: 64 claimed sequence
Probioglat
Polimunol
Escadra
Natco
Hangzhou
Axoglatiran FS
Glatopa
M 356
Identifiers:
SMILES:
CC(=O)O.C[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI:
InChI=1S/C9H11NO3.C6H14N2O2.C5H9NO4.C3H7NO2.C2H4O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(7)8;1-2(4)3(5)6;1-2(3)4/h1-4,8,11H,5,10H2,(H,12,13);5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10);2H,4H2,1H3,(H,5,6);1H3,(H,3,4)/t8-;5-;3-;2-;/m0000./s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 623.66 g/mol | CAS Common Chemistry |
| 623.6570000000005 g/mol | RDKit | |
| 623.3013864999999 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C.O=C(O)CCC(N)C(=O)O.O=C(O)C(N)C.O=C(O)C(N)CC1=CC=C(O)C=C1.O=C(O)C(N)CCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO3.C6H14N2O2.C5H9NO4.C3H7NO2.C2H4O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(7)8;1-2(4)3(5)6;1-2(3)4/h1-4,8,11H,5,10H2,(H,12,13);5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10);2H,4H2,1H3,(H,5,6);1H3,(H,3,4)/t8-;5-;3-;2-;/m0000./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FHEAIOHRHQGZPC-KIWGSFCNSA-N | CAS Common Chemistry |
| Name | Glatiramer acetate | CAS Common Chemistry |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 12 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 374.13 Ų | RDKit |
| LogP | -1.3538999999999985 | RDKit |
| Molar Refractivity | 153.01459999999997 | RDKit |
