Find Aloin manufacturers, exporters & distributors on PharmaCompass

PharmaCompass

Synopsis

Related ProductsRelated Products

Synopsis

ACTIVE PHARMA INGREDIENTS

0

API Suppliers

API Suppliers

0

USDMF

US DMFs Filed

0

CEP/COS

CEP/COS Certifications

0

JDMF

JDMFs Filed

0

EU WC

EU WC

0

KDMF

KDMF

0

NDC API

NDC API

0

VMF

NDC API

0

Listed Suppliers

Other Suppliers

API REF. PRICE (USD/KG)

$
$ 0

MARKET PLACE

0

API

0

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

0

FDF Dossiers

FDF Dossiers

0

FDA Orange Book

FDA (Orange Book)

0

Europe

Europe

0

Canada

Canada

0

Australia

Australia

0

South Africa

South Africa

0

Listed Dossiers

Listed Dossiers

0 DRUGS IN DEVELOPMENT

FDF Dossiers

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

0

EDQM

0

JP

PATENTS & EXCLUSIVITIES

0

US Patents

0

US Exclusivities

0

Health Canada Patents

DIGITAL CONTENT

0

Data Compilation #PharmaFlow

0

Stock Recap #PipelineProspector

0

Weekly News Recap #Phispers

0

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid

NA

Annual Reports

NA

Finished Drug Prices

NA

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
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

Upload your portfolio for free, ask us

ABOUT THIS PAGE

Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty