N-Benzyl Salbutamol Acetonide Methyl Ether - CAS 1797879-98-1
Catalog: |
BB073471 |
Product Name: |
N-Benzyl Salbutamol Acetonide Methyl Ether |
CAS: |
1797879-98-1 |
Synonyms: |
α-[[N-(1,1-Dimethylethyl)-N-benzylamino]methyl]-2,2-dimethyl-4H-1,3-benzodioxin-6-methanol Methyl Ether |
IUPAC Name: | N-benzyl-N-[2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-methoxyethyl]-2-methylpropan-2-amine |
Description: | Intermediate in the preparation of Albuterol Methyl Ether Hydrochloride Salt (A514510). |
Molecular Weight: | 383.52 |
Molecular Formula: | C24H33NO3 |
Canonical SMILES: | CC1(OCC2=C(O1)C=CC(=C2)C(CN(CC3=CC=CC=C3)C(C)(C)C)OC)C |
InChI: | InChI=1S/C24H33NO3/c1-23(2,3)25(15-18-10-8-7-9-11-18)16-22(26-6)19-12-13-21-20(14-19)17-27-24(4,5)28-21/h7-14,22H,15-17H2,1-6H3 |
InChI Key: | CSUJXNKPXMEJCM-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | Brown Oil |
Storage: | 4°C |
Complexity: | 481 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 383.24604391 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 383.24604391 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 30.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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