Compound Summary
Compound Information
salmeterol xinafoate
Compound Name: | salmeterol xinafoate |
Compound CID: | 56801 |
Synonyms: | salmeterol xinafoate 94749-08-3 Salmetedur Arial GR 33343X xinafoate More... |
Iupac Name: | 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol;1-hydroxynaphthalene-2-carboxylic acid |
InChI: | InChI=1S/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14) |
InChIKey: | XTZNCVSCVHTPAI-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O.C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O |
Isomeric Smiles: | C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O.C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O |
Molecular Weight: | 603.7 |
Molecular Formula: | C36H45NO7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
salmeterol xinafoate
Molecular Weight: | 603.7 |
Molecular Formula: | C36H45NO7 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 17 |
Heavy Atom Count: | 44 |
Complexity: | 629 |
Synonyms
salmeterol xinafoate
| salmeterol xinafoate | salmeterol xinafoate |
|---|---|
salmeterol xinafoate |
94749-08-3 |
Salmetedur |
Arial |
GR 33343X xinafoate |
Salmeterol 1-hydroxy-2-naphthoate |
SALMETEROLO |
Salmeterol (xinafoate) |
4-(1-Hydroxy-2-((6-(4-phenylbutoxy)hexyl)amino)ethyl)-2-(hydroxymethyl)phenol 1-hydroxy-2-naphthoate |
GR 33343 G |
2-(hydroxymethyl)-4-1-hydroxy-2-6-(4-phenylbutoxy)hexylaminoethylphenol;1-hydroxynaphthalene-2-carboxylic acid |
Serevent diskus |
MFCD00897708 |
NCGC00094372-03 |
Asmerole |
Betamican |
Dilamax |
Inaspir |
Ultrabeta |
Beglan |
DSSTox_CID_25798 |
DSSTox_RID_81137 |
DSSTox_GSID_45798 |
Serevent Inhaler and Disks |
Salmeterolxinafoate |
SMR000875207 |
CAS-94749-08-3 |
Salmeterol xinafoate USAN:USP |
Serevent (TN) |
4-1-Hydroxy-2-6-(4-phenylbutoxy)hexylaminoethyl-2-(hydroxymethyl)phenol 1-Hydroxy-2-naphthoate |
SCHEMBL18070 |
(+-)-4-Hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-m-xylene-alpha,alpha-diol 1-hydroxy-2-naphthoate (salt) |
MLS001332577 |
MLS001332578 |
CHEBI:9012 |
LIPO-202 |
CHEMBL1082607 |
DTXSID1045798 |
C36H45NO7 |
Salmeterol xinafoate (JAN/USP) |
HMS2232I16 |
HMS3263K22 |
HMS3676P13 |
HMS3749I03 |
HMS3885J19 |
AMY23373 |
BCP04778 |
Tox21_111270 |
Tox21_501100 |
s4296 |
AKOS016004957 |
Tox21_111270_1 |
CCG-270203 |
CS-1527 |
GR-33343 G |
KS-1140 |
LP01100 |
NCGC00015938-05 |
NCGC00094372-01 |
NCGC00094372-02 |
NCGC00094372-04 |
NCGC00261785-01 |
(+/-) 4-Hydroxy-a1-6-(4-phenylbutoxy)hexylaminom-ethyl-1,3-benzenedimethanol xinafoate |
1,3-Benzenedimethanol, 4-hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-, (+-)-, 1-hydroxy-2-naphthalenecarboxylate (salt) |
HY-17453 |
BCP0726000003 |
AB0020656 |
DB-057527 |
EU-0101100 |
FT-0642283 |
V1621 |
Salmeterol xinafoate, >=98% (HPLC), solid |
D00687 |
R10007 |
A916443 |
SR-01000597359 |
Q-201697 |
SR-01000597359-1 |
Q27264747 |
Salmeterol xinafoate, European Pharmacopoeia (EP) Reference Standard |
Salmeterol xinafoate, United States Pharmacopeia (USP) Reference Standard |
4-Hydroxy-alpha-({6-(4-phenylbutoxy)hexylamino}methyl)-1,3-benzenedimethanol xinafoate |
Salmeterol xinafoate for system suitability, European Pharmacopoeia (EP) Reference Standard |
Salmeterol Xinafoate, Pharmaceutical Secondary Standards; Certified Reference Material |
4-(1-hydroxy-2-(6-(4-phenylbutoxy)hexylamino)ethyl)-2-(hydroxymethyl)phenol 1-hydroxy-2-naphthoate |
4-Hydroxy-?1-6-(4-phenylbutoxy)hexylaminomethyl-1,3-benzenedimethanol 1-hydroxy-2-naphthalenecarboxylic acid salt |
Experimental Data
salmeterol xinafoate
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -12 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
salmeterol xinafoate
Statistics Data
salmeterol xinafoate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -12 | 1 | 1 |
Statistics Data Visualization
salmeterol xinafoate
