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(-)-Epinephrine (+)-Bitartrate
CAS: 51-42-3 | C13H19NO9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51-42-3
Molecular Formula:
C13H19NO9
Molecular Mass:
333.29 g/mol
Names and Synonyms:
(-)-Epinephrine (+)-Bitartrate
1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
Benzyl alcohol, 3,4-dihydroxy-α-[(methylamino)methyl]-, (-)-, (+)-tartrate (1:1) (salt)
1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, (R)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
Adrenaline, tartrate (1:1)
1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)
Tartaric acid, compd. with adrenaline
l-Adrenaline d-bitartrate
Epinephrine bitartrate
l-Adrenaline tartrate
l-Adrenaline bitartrate
Adrenaline bitartrate
Adrenaline hydrogen tartrate
(-)-Epinephrine bitartrate
Epinephrine d-bitartrate
Epinephrine tartrate
(-)-Adrenaline bitartrate
(-)-Adrenaline tartrate
l-Adrenaline hydrogen tartrate
Adrenalin bitartrate
(-)-Adrenaline acid tartrate
(-)-Adrenaline hydrogen tartrate
(-)-Epinephrine (+)-bitartrate
l-Epinephrine d-bitartrate
Epinephrine hydrogen tartrate
Adrenaline acid tartrate
R-(-)-Epinephrine bitartrate
L-Adrenaline bitartrate
l-Epinephrine bitartrate
Asmatane Mist
Bronitin Mist
Bronkaid Mist Suspension
Asthmahaler Epitrate
Medihaler-Epi
Primatene Mist Suspension
Epitrate
Adrenatab
Identifiers:
SMILES:
CNC[C@H](O)c1ccc(O)c(O)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChI:
InChI=1S/C9H13NO3.C4H6O6/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;5-1(3(7)8)2(6)4(9)10/h2-4,9-13H,5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m01/s1
Key Properties
Melting Point
147-154 °C
CAS Common Chemistry
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 | 333.29 g/mol | CAS Common Chemistry |
| 333.29300000000006 g/mol | RDKit | |
| 333.105981188 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)C(O)C(=O)O.OC1=CC=C(C=C1O)C(O)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO3.C4H6O6/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;5-1(3(7)8)2(6)4(9)10/h2-4,9-13H,5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m01/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YLXIPWWIOISBDD-NDAAPVSOSA-N | CAS Common Chemistry |
| Melting Point | 147-154 °C | CAS Common Chemistry |
| Name | (-)-Epinephrine (+)-bitartrate | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 187.77999999999997 Ų | RDKit |
| LogP | -1.7719999999999998 | RDKit |
| Molar Refractivity | 75.94330000000002 | RDKit |
