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Chemistry

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Also known as: Aloin, 1415-73-2, Aloin a, Barbaloin a, Aloinum, Chebi:2991
Molecular Formula
C21H22O9
Molecular Weight
418.4  g/mol
InChI Key
AFHJQYHRLPMKHU-OSYMLPPYSA-N
FDA UNII
648RW354S9

Aloin
aloin is a natural product found in Aloe africana, Aloe castanea, and other organisms with data available.
1 2D Structure

Aloin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
2.1.2 InChI
InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1
2.1.3 InChI Key
AFHJQYHRLPMKHU-OSYMLPPYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO
2.1.5 Isomeric SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO
2.2 Other Identifiers
2.2.1 UNII
648RW354S9
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Barbaloin, (s)-isomer

2. Barbaloin, Beta-d-isomer

3. Barbaloin, Monoglucoside

4. Isobarbaloin

2.3.2 Depositor-Supplied Synonyms

1. Aloin

2. 1415-73-2

3. Aloin A

4. Barbaloin A

5. Aloinum

6. Chebi:2991

7. Mfcd00151160

8. 1,8-dihydroxy-3-hydroxymethyl-10-(6-hydroxymethyl-3,4,5-trihydroxy-2-pyranyl)anthrone

9. Aloin [ban]

10. 648rw354s9

11. Dsstox_cid_25967

12. (10s)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10h-anthracen-9-one

13. (1s)-1,5-anhydro-1-[(9s)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-d-glucitol

14. (s)-1,8-dihydroxy-3-(hydroxymethyl)-10-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)anthracen-9(10h)-one

15. 5133-19-7

16. (10s)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one

17. Aloin(mixture Of A&b)

18. Aloin (mixture Of A And B)

19. 10-(1',5'-anhydroglucosyl)aloe-emodin-9-anthrone

20. Barbalin

21. Aloin, From Curacao Aloe, ~50%

22. Barbaloin-a

23. Nsc631263

24. Unii-648rw354s9

25. 10-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10h)-anthracenone

26. Nsc-407305

27. Aloin-a

28. 9(10h)-anthracenone, 10-.beta.-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10s)-

29. Barbaloin,(s)

30. Ncgc00183867-01

31. Aloin (barbaloin)

32. 8015-61-0

33. Einecs 215-808-0

34. Nsc 227189

35. Nsc 631263

36. Aloin(mixtureofaandb)

37. Aloin, Analytical Standard

38. Aloin A [mi]

39. Dsstox_rid_81262

40. Dsstox_rid_82951

41. Dsstox_gsid_45967

42. Dsstox_gsid_48755

43. Chembl2103763

44. Dtxsid0045967

45. Schembl14837254

46. Hy-n0123

47. Tox21_111495

48. Tox21_113216

49. S2375

50. Akos022168218

51. Zinc100018557

52. Ccg-268870

53. Cs-3707

54. Nsc 407305

55. Nsc 758464

56. (r)-10-beta-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)anthracen-9(10h)-one

57. 1,8-dihydroxy-10-(beta-d-glucopyranosyl)-3-(hydroxymethyl)-9(10h)-anthracenone

58. 9(10h)-anthracenone, 10-.beta.-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (s)-

59. Ncgc00183867-02

60. Cas-1415-73-2

61. Cas-8015-61-0

62. Ft-0772660

63. N2491

64. H10347

65. 415b732

66. A807778

67. Q413888

68. Aloin, From Aloe Barbadensis Miller Leaves, >=97%

69. Aloin, United States Pharmacopeia (usp) Reference Standard

70. 10-glucopyranosyl-1,8-dihydro-3-(hydroxymethyl)-9-anthracenone

71. 1,8-dihydroxy-10-(bet.-d-glucopyranosyl)-3-(hydroxymethyl)-9(10h)-anthracenone

72. 10-.beta.-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10h)-anthracenone-, 10(s)-

73. 10-beta-d-glucopyranosyl-1,8-dihydroxy-3-hydroxymethyl-9(10h)-anthrone,(r)-

74. 9(10h)-anthracenone, 10-beta-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10s)-

75. (10s)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-10h-anthracen-9-one

76. (10s)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-10h-anthracen-9-one;aloin

77. (10s)-10-.beta.-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10h)-anthracenone

78. (s)-1,8-dihydroxy-3-(hydroxymethyl)-10-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)anthracen-9(10h)-one(mixture Of A And B)

2.4 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 418.4 g/mol
Molecular Formula C21H22O9
XLogP3-0.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass418.12638228 g/mol
Monoisotopic Mass418.12638228 g/mol
Topological Polar Surface Area168 Ų
Heavy Atom Count30
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

REF. STANDARDS & IMPURITIES

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ABOUT THIS PAGE

Aloin Manufacturers

A Aloin manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Aloin, including repackagers and relabelers. The FDA regulates Aloin manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Aloin API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Aloin Suppliers

A Aloin supplier is an individual or a company that provides Aloin active pharmaceutical ingredient (API) or Aloin finished formulations upon request. The Aloin suppliers may include Aloin API manufacturers, exporters, distributors and traders.

Aloin GMP

Aloin Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Aloin GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Aloin GMP manufacturer or Aloin GMP API supplier for your needs.

Aloin CoA

A Aloin CoA (Certificate of Analysis) is a formal document that attests to Aloin's compliance with Aloin specifications and serves as a tool for batch-level quality control.

Aloin CoA mostly includes findings from lab analyses of a specific batch. For each Aloin CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Aloin may be tested according to a variety of international standards, such as European Pharmacopoeia (Aloin EP), Aloin JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Aloin USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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