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Salbutamol Sulfate
CAS: 51022-70-9 | C13H23NO7S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51022-70-9
Molecular Formula:
C13H23NO7S
Molecular Mass:
337.39 g/mol
Names and Synonyms:
Salbutamol Sulfate
1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, sulfate (2:1)
1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, sulfate (2:1) (salt)
Salbutamol hemisulfate
Salbutamol sulfate
Venetlin
Albuterol sulfate
Albuterol hemisulfate
dl-Salbutamol sulfate
(±)-Salbutamol sulfate
Proventil
Almotex
Airet
Asmalin
Anebron
Asmadil
Asmatol
Asmaven
Asmavent
Asmidon
Asmol Uni-Dose
Asthalin
Broncho-Spray
Broncovaleas
Bronter
Bugonol
Butamol
Buto-Asma
Butotal
Asmanil
Asmasal
Dilatamol
Farcolin
Grafalin
Instavent
Libretin
Medolin
Mozal
Novosalmol
Parasma
Respax
Salbetol
Salbron
Salbulin
Salbusian
Salbutalan
Salbutan
Salbutol
Salbuven
Salbuvent
Salmaplon
Salomol
Sedalin
Suprasma
Theosal
Tobybron
Vencronyl
Ventilan
Ventimax
Ventolin Rotacaps
Buventol
Cobutolin
Aerolin
Ecovent
Ventelin
Salbutard
Volma
Cetsim
Salbutine
Ventodiscks
Loftan
Salbumol
Sch 13949W sulfate
NSC 289928
Ventorline CR
Salbovent
Ventorain
Salorain
Identifiers:
SMILES:
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.O=S(=O)(O)O
InChI:
InChI=1S/C13H21NO3.H2O4S/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)
Key Properties
Melting Point
186.91 °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 | 337.39 g/mol | CAS Common Chemistry |
| 337.394 g/mol | RDKit | |
| 337.11952307599995 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(O)O.OC1=CC=C(C=C1CO)C(O)CNC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H21NO3.H2O4S/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=OVICLFZZVQVVFT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 186.91 °C | CAS Common Chemistry |
| Name | Salbutamol sulfate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 147.32 Ų | RDKit |
| LogP | 0.6532000000000003 | RDKit |
| Molar Refractivity | 80.92250000000004 | RDKit |
