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(-)-Norepinephrine (+)-Bitartrate
CAS: 51-40-1 | C12H17NO9
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
51-40-1
Molecular Formula:
C12H17NO9
Molecular Mass:
319.27 g/mol
Names and Synonyms:
(-)-Norepinephrine (+)-Bitartrate
1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
Benzyl alcohol, α-(aminomethyl)-3,4-dihydroxy-, (-)-, tartrate (1:1) (salt)
1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
Arterenol, tartrate
1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)
Levarterenol bitartrate
(-)-Noradrenaline acid tartrate
(-)-Noradrenaline bitartrate
Noradrenaline bitartrate
Norepinephrine bitartrate
(-)-Norepinephrine bitartrate
l-Norepinephrine bitartrate
Noradrenaline acid tartrate
l-Noradrenaline bitartrate
Norepinephrine tartrate
Noradrenaline hydrogen tartrate
(-)-Norepinephrine tartrate
(-)-Noradrenaline tartrate
Noradrenaline tartrate
(-)-Noradrenaline hydrogen tartrate
l-Noradrenaline tartrate
L-Norepinephrine D-bitartrate
(-)-Norepinephrine (+)-bitartrate
l-Noradrenaline d-bitartrate
(-)-Noradrenaline (+)-bitartrate
l-Arterenol bitartrate
Levophed bitartrate
l-Arterenol d-bitartrate
L-Noradrenaline bitartrate
L-Arterenol bitartrate
(-)-Noradrenaline hydrogen L-tartrate
Norepinephrine hydrogen tartrate
(-)-(R)-Norepinephrine bitartrate
NSC 169106
(R)-Noradrenaline bitartrate
Identifiers:
SMILES:
NC[C@H](O)c1ccc(O)c(O)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChI:
InChI=1S/C8H11NO3.C4H6O6/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10/h1-3,8,10-12H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10)/t8-;1-,2-/m01/s1
Key Properties
Melting Point
102-104 °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 | 319.27 g/mol | CAS Common Chemistry |
| 319.266 g/mol | RDKit | |
| 319.090331124 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)C(O)C(=O)O.OC1=CC=C(C=C1O)C(O)CN | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO3.C4H6O6/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10/h1-3,8,10-12H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10)/t8-;1-,2-/m01/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WNPNNLQNNJQYFA-YIDNRZKSSA-N | CAS Common Chemistry |
| Melting Point | 102-104 °C | CAS Common Chemistry |
| Name | (-)-Norepinephrine (+)-bitartrate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 201.76999999999998 Ų | RDKit |
| LogP | -2.0326999999999997 | RDKit |
| Molar Refractivity | 71.07100000000003 | RDKit |
