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Synopsis

Chemistry

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Also known as: 94749-08-3, Salmetedur, Arial, Gr 33343x xinafoate, Salmeterol 1-hydroxy-2-naphthoate, Salmeterolo
Molecular Formula
C36H45NO7
Molecular Weight
603.7  g/mol
InChI Key
XTZNCVSCVHTPAI-UHFFFAOYSA-N
FDA UNII
6EW8Q962A5

Salmeterol Xinafoate
A selective ADRENERGIC BETA-2 RECEPTOR agonist that functions as a BRONCHODILATOR when administered by inhalation. It is used to manage the symptoms of ASTHMA and CHRONIC OBSTRUCTIVE PULMONARY DISEASE.
1 2D Structure

Salmeterol Xinafoate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol;1-hydroxynaphthalene-2-carboxylic acid
2.1.2 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)
2.1.3 InChI Key
XTZNCVSCVHTPAI-UHFFFAOYSA-N
2.1.4 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
2.2 Other Identifiers
2.2.1 UNII
6EW8Q962A5
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Salmeterol

2. Serevent

3. Xinafoate, Salmeterol

2.3.2 Depositor-Supplied Synonyms

1. 94749-08-3

2. Salmetedur

3. Arial

4. Gr 33343x Xinafoate

5. Salmeterol 1-hydroxy-2-naphthoate

6. Salmeterolo

7. Salmeterol (xinafoate)

8. 4-(1-hydroxy-2-((6-(4-phenylbutoxy)hexyl)amino)ethyl)-2-(hydroxymethyl)phenol 1-hydroxy-2-naphthoate

9. Gr 33343 G

10. 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol;1-hydroxynaphthalene-2-carboxylic Acid

11. Serevent Diskus

12. 6ew8q962a5

13. Gr-33343x

14. Gr-33343 G

15. Ncgc00094372-03

16. Asmerole

17. Betamican

18. Dilamax

19. Inaspir

20. Ultrabeta

21. Beglan

22. Dsstox_cid_25798

23. Dsstox_rid_81137

24. Dsstox_gsid_45798

25. Serevent Inhaler And Disks

26. Salmeterol Xinafoate [usan]

27. Smr000875207

28. Cas-94749-08-3

29. Unii-6ew8q962a5

30. Salmeterol Xinafoate [usan:usp]

31. Serevent (tn)

32. 4-[1-hydroxy-2-[[6-(4-phenylbutoxy)hexyl]amino]ethyl]-2-(hydroxymethyl)phenol 1-hydroxy-2-naphthoate

33. Salmeterol, 1-hydroxy-2-naphthoate

34. Mfcd00897708

35. Schembl18070

36. (+-)-4-hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-m-xylene-alpha,alpha'-diol 1-hydroxy-2-naphthoate (salt)

37. Mls001332577

38. Mls001332578

39. Chebi:9012

40. Lipo-202

41. Chembl1082607

42. Dtxsid1045798

43. Salmeterol Xinafoate (jan/usp)

44. Hms2232i16

45. Hms3263k22

46. Hms3676p13

47. Hms3749i03

48. Hms3885j19

49. Salmeterol Xinafoate [jan]

50. Amy23373

51. Bcp04778

52. Salmeterol Xinafoate [vandf]

53. Tox21_111270

54. Tox21_501100

55. S4296

56. Salmeterol Xinafoate [mart.]

57. Salmeterol Xinafoate [usp-rs]

58. Salmeterol Xinafoate [who-dd]

59. Akos016004957

60. Tox21_111270_1

61. Ccg-270203

62. Cs-1527

63. Ks-1140

64. Lp01100

65. Ncgc00015938-05

66. Ncgc00094372-01

67. Ncgc00094372-02

68. Ncgc00094372-04

69. Ncgc00261785-01

70. 1,3-benzenedimethanol, 4-hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-, (+-)-, 1-hydroxy-2-naphthalenecarboxylate (salt)

71. Hy-17453

72. Salmeterol Xinafoate [ep Impurity]

73. Salmeterol Xinafoate [orange Book]

74. Bcp0726000003

75. Salmeterol Xinafoate [ep Monograph]

76. Advair Component Salmeterol Xinafoate

77. Db-057527

78. Salmeterol Xinafoate [usp Monograph]

79. Eu-0101100

80. Ft-0642283

81. Salmeterol Xinafoate, >=98% (hplc), Solid

82. D00687

83. Lipo-102 Component Salmeterol Xinafoate

84. R10007

85. Salmeterol 1-hydroxy-2-naphthoate [mi]

86. Salmeterol Xinafoate Component Of Advair

87. Advair Hfa Component Salmeterol Xinafoate

88. A916443

89. Sr-01000597359

90. Q-201697

91. Salmeterol Xinafoate Component Of Advair Hfa

92. Sr-01000597359-1

93. Airduo Respiclick Component Salmeterol Xinafoate

94. Q27264747

95. Salmeterol Xinafoate Component Of Airduo Respiclick

96. Salmeterol Xinafoate, European Pharmacopoeia (ep) Reference Standard

97. Salmeterol Xinafoate, United States Pharmacopeia (usp) Reference Standard

98. Salmeterol Xinafoate For System Suitability, European Pharmacopoeia (ep) Reference Standard

99. Salmeterol Xinafoate, Pharmaceutical Secondary Standards; Certified Reference Material

100. (+/-)-4-hydroxy-.alpha.(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-m-xylene-.alpha.,.alpha.'-diol 1-hydroxy-2-naphthoate

101. 1,3-benzenedimethanol, 4-hydroxy-.alpha.(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-, (+/-)-, 1-hydroxy-2-naphthalenecarboxylate

102. 4-(1-hydroxy-2-(6-(4-phenylbutoxy)hexylamino)ethyl)-2-(hydroxymethyl)phenol 1-hydroxy-2-naphthoate

103. 4-hydroxy-?1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-1,3-benzenedimethanol 1-hydroxy-2-naphthalenecarboxylic Acid Salt

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 603.7 g/mol
Molecular Formula C36H45NO7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass603.31960277 g/mol
Monoisotopic Mass603.31960277 g/mol
Topological Polar Surface Area140 Ų
Heavy Atom Count44
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Bronchodilator Agents

Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)


Adrenergic beta-2 Receptor Agonists

Compounds bind to and activate ADRENERGIC BETA-2 RECEPTORS. (See all compounds classified as Adrenergic beta-2 Receptor Agonists.)


4.2 FDA Pharmacological Classification
4.2.1 Pharmacological Classes
beta2-Adrenergic Agonist [EPC]; Adrenergic beta2-Agonists [MoA]

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Coral Drugs Private Limited

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LIMITED","customerCountry":"INDIA","quantity":"0.03","actualQuantity":"0.025","unit":"KGS","unitRateFc":"135000","totalValueFC":"4075.7","currency":"EUR","unitRateINR":"12150000","date":"01-Jul-2021","totalValueINR":"303750","totalValueInUsd":"4075.7","indian_port":"HYDERABAD AIR","hs_no":"29225090","bill_no":"4528310","productDescription":"API","marketType":"REGULATED MARKET","country":"SPAIN","selfForZScoreResived":"Pharma Grade","supplierPort":"BARCELONA","supplierAddress":"","customerAddress":"PLOT NO.2, MAITRIVIHAR,BEHIND MAITRIVANAM, AMEERPET,"},{"dataSource":"API Import","activeIngredients":"","year":"2021","qtr":"Q3","strtotime":1625077800,"product":"SALMETEROL XINAFOATE","address":"PLOT NO.2, MAITRIVIHAR,BEHIND MAITRIVANAM, AMEERPET,","city":"HYDERABAD\/ANDHRA PRADESH","supplier":"INKE S.A","supplierCountry":"SPAIN","foreign_port":"BARCELONA","customer":"AUROBINDO PHARMA LIMITED","customerCountry":"INDIA","quantity":"0.04","actualQuantity":"0.035","unit":"KGS","unitRateFc":"135000","totalValueFC":"5706","currency":"EUR","unitRateINR":"12150000","date":"01-Jul-2021","totalValueINR":"425250","totalValueInUsd":"5706","indian_port":"HYDERABAD AIR","hs_no":"29225090","bill_no":"4528310","productDescription":"API","marketType":"REGULATED MARKET","country":"SPAIN","selfForZScoreResived":"Pharma Grade","supplierPort":"BARCELONA","supplierAddress":"","customerAddress":"PLOT NO.2, MAITRIVIHAR,BEHIND MAITRIVANAM, AMEERPET,"}]
11-Jan-2021
25-Oct-2024
KGS
overview
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Average Price (USD/KGS)

Number of Transactions

Total Quantity (KGS)

Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

Importing Country Total Quantity
(KGS)
Average Price
(USD/KGS)
Number of Transactions

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DRUG PRODUCT COMPOSITIONS

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DOSAGE - POWDER;INHALATION - 0.055MG/INH;EQ 0...DOSAGE - POWDER;INHALATION - 0.055MG/INH;EQ 0.014MG BASE/INH

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DOSAGE - POWDER;INHALATION - 0.232MG/INH;EQ 0...DOSAGE - POWDER;INHALATION - 0.232MG/INH;EQ 0.014MG BASE/INH

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DOSAGE - POWDER;INHALATION - 0.1MG/INH;EQ 0.0...DOSAGE - POWDER;INHALATION - 0.1MG/INH;EQ 0.05MG BASE/INH

USFDA APPLICATION NUMBER - 21077

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DOSAGE - POWDER;INHALATION - 0.25MG/INH;EQ 0....DOSAGE - POWDER;INHALATION - 0.25MG/INH;EQ 0.05MG BASE/INH

USFDA APPLICATION NUMBER - 21077

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DOSAGE - POWDER;INHALATION - 0.5MG/INH;EQ 0.0...DOSAGE - POWDER;INHALATION - 0.5MG/INH;EQ 0.05MG BASE/INH

USFDA APPLICATION NUMBER - 21077

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DOSAGE - AEROSOL, METERED;INHALATION - 0.045M...DOSAGE - AEROSOL, METERED;INHALATION - 0.045MG/INH;EQ 0.021MG BASE/INH

USFDA APPLICATION NUMBER - 21254

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DOSAGE - AEROSOL, METERED;INHALATION - 0.115M...DOSAGE - AEROSOL, METERED;INHALATION - 0.115MG/INH;EQ 0.021MG BASE/INH

USFDA APPLICATION NUMBER - 21254

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DOSAGE - AEROSOL, METERED;INHALATION - 0.23MG...DOSAGE - AEROSOL, METERED;INHALATION - 0.23MG/INH;EQ 0.021MG BASE/INH

USFDA APPLICATION NUMBER - 21254

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