Salmeterol xinafoate - ≥96% , CAS No.94749-08-3

Name: Salmeterol xinafoate - ≥96% , CAS No.94749-08-3
Brand: Aladdin Scientific
SKU: S276603
Availability: InStock

CAS: 94749-08-3 Cat. No.: S276603 Molecular Weight: 603.75 EC Number: 638-765-3 PubChem CID: 56801

COA

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Salmeterol xinafoate - ≥96% CAS No(94749-08-3) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥96%

Synonyms

(+-)-4-Hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-m-xylene-alpha,alpha'-diol 1-hydroxy-2-naphthoate (salt) | ADVAIR COMPONENT SALMETEROL XINAFOATE | LIPO-102 COMPONENT SALMETEROL XINAFOATE | Salmeterol xinafoate for system suitability,

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Store at Room Temperature. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

(+-)-4-Hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-m-xylene-alpha, alpha'-diol 1-hydroxy-2-naphthoate (salt) | ADVAIR COMPONENT SALMETEROL XINAFOATE | LIPO-102 COMPONENT SALMETEROL XINAFOATE | Salmeterol xinafoate for system suitability,

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

Selective, long acting β 2 adrenoceptor agonist. Inhibits release of histamine, leukotrienes, prostaglandin D 2 and GM-CSF in concentration-dependent manner. Active in vitro and in vivo .

Storage

Room temperature, Desiccated

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥96%

Names and Identifiers

Pubchem Sid	488183395
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183395
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
IUPAC Name	2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol;1-hydroxynaphthalene-2-carboxylic acid
InChIKey	XTZNCVSCVHTPAI-UHFFFAOYSA-N
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)
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
PubChem CID	56801
Molecular Weight	603.75

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthalenecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenecarboxylic acids
Alternative Parents	Naphthols and derivatives Salicylic acid and derivatives Benzyl alcohols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Vinylogous acids Secondary alcohols 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Carboxylic acids Aromatic alcohols Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework	Not available
Substituents	2-naphthalenecarboxylic acid - 1-naphthol - Hydroxybenzoic acid - Salicylic acid or derivatives - Benzyl alcohol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Monocyclic benzene moiety - Vinylogous acid - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Secondary amine - Organic oxide - Organic oxygen compound - Amine - Alcohol - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

Discover Target: DRD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

Discover Target: MTOR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GALR3 Tchem Galanin receptor 3 (273 Activities)

Discover Target: GALR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SH-SY5Y (11521 Activities)

Lot Number	Certificate Type	Date	Item
C2515097	Certificate of Analysis	Dec 10, 2025	S276603
K2208663	Certificate of Analysis	Nov 06, 2025	S276603
K2208665	Certificate of Analysis	Oct 29, 2025	S276603
K2208666	Certificate of Analysis	Oct 29, 2025	S276603
K2208667	Certificate of Analysis	Oct 29, 2025	S276603

Solubility	Soluble in ethanol to 25 mM and in DMSO to 100 mM
Melt Point(°C)	137- 138°C
Molecular Weight	603.700 g/mol
XLogP3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	17
Exact Mass	603.32 Da
Monoisotopic Mass	603.32 Da
Topological Polar Surface Area	139.000 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	629.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2