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Chemistry

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Also known as: 351-50-8, H-d-his-oh, (r)-2-amino-3-(1h-imidazol-4-yl)propanoic acid, D-his, (2r)-2-amino-3-(1h-imidazol-5-yl)propanoic acid, D-histamine
Molecular Formula
C6H9N3O2
Molecular Weight
155.15  g/mol
InChI Key
HNDVDQJCIGZPNO-RXMQYKEDSA-N
FDA UNII
4JE5HRM5CH

D-Histidine
1 2D Structure

D-Histidine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
2.1.2 InChI
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1
2.1.3 InChI Key
HNDVDQJCIGZPNO-RXMQYKEDSA-N
2.1.4 Canonical SMILES
C1=C(NC=N1)CC(C(=O)O)N
2.1.5 Isomeric SMILES
C1=C(NC=N1)C[C@H](C(=O)O)N
2.2 Other Identifiers
2.2.1 UNII
4JE5HRM5CH
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 351-50-8

2. H-d-his-oh

3. (r)-2-amino-3-(1h-imidazol-4-yl)propanoic Acid

4. D-his

5. (2r)-2-amino-3-(1h-imidazol-5-yl)propanoic Acid

6. D-histamine

7. D-histidin

8. (2r)-2-amino-3-(1h-imidazol-4-yl)propanoic Acid

9. Chebi:27947

10. (r)-2-amino-3-(4-imidazolyl)propionic Acid

11. 4je5hrm5ch

12. D-histidine Hydrochloride Monohydrate

13. (r)-alpha-amino-1h-imidazole-4-propionic Acid

14. (2r)-2-ammonio-3-(1h-imidazol-4-yl)propanoate

15. D-histidine Hydrochloride

16. Mfcd00065963

17. D-histidine; D-his-oh

18. Copper-histidine

19. (r)-histidine

20. Einecs 206-513-8

21. 2ez7

22. Histidine, D-

23. Unii-4je5hrm5ch

24. Schembl59365

25. D-histidine (h-d-his-oh)

26. Chembl104875

27. Gtpl4679

28. Niosh/ms3116000

29. Dtxsid70889344

30. Histidine, Monohydrochloride, D-

31. D-histidine, >=98% (tlc)

32. 7006-35-1

33. Zinc6661404

34. Bbl009711

35. Bdbm50463187

36. Fd3017

37. Stl141076

38. Akos005716904

39. Akos015854102

40. Akos032949750

41. Ac-8655

42. Am81800

43. Cs-w013288

44. Hy-w012572

45. Ncgc00142611-01

46. Ncgc00142611-02

47. As-13490

48. D-histidine, Puriss., >=99.0% (t)

49. D-a-amino-ss-(4-imidazolyl)propionic Acid

50. D-histidine, Vetec(tm) Reagent Grade, 98%

51. H0998

52. Ms31160000

53. C06419

54. M02972

55. 3-(1h-imidazole-4-yl)-2-aminopropanoic Acid;

56. 351h508

57. A822610

58. A836759

59. (2r)-2-azanyl-3-(1h-imidazol-5-yl)propanoic Acid

60. Q-101530

61. Q27077043

62. Z1270387295

63. E13ff66c-6b46-4431-ae14-82a8d0c9dd56

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 155.15 g/mol
Molecular Formula C6H9N3O2
XLogP3-3.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass155.069476538 g/mol
Monoisotopic Mass155.069476538 g/mol
Topological Polar Surface Area92 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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[{"dataSource":"API Import","activeIngredients":"D-HISTIDINE","year":"2021","qtr":"Q2","strtotime":1620757800,"product":"NA-FMOC-NIM-TRITYL-D-HISTIDINE","address":"BIOCON SEZ, BIOCON PARK,PLOT NO.2 3","city":"","supplier":"CHEM IMPEX INTERNATIONAL ","supplierCountry":"UNITED STATES","foreign_port":"N\/A","customer":"SYNGENE INTERNATIONAL LIMITED","customerCountry":"INDIA","quantity":"0.01","actualQuantity":"5","unit":"GMS","unitRateFc":"17.7","totalValueFC":"90.5","currency":"USD","unitRateINR":"1325.8","date":"12-May-2021","totalValueINR":"6629","totalValueInUsd":"90.5","indian_port":"Biocon-SEZ","hs_no":"29420090","bill_no":"1006475","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED STATES","selfForZScoreResived":"Pharma Grade","supplierPort":"N\/A","supplierAddress":"USA ,BOND NO.11\/TCG\/BOND(GENERAL SU RETY)\/TECH\/BDN\/CGST&CX\/KOL-N\/2018-1 9DT1\/7\/18 VA UP TO 31\/3\/20 US","customerAddress":"BIOCON SEZ, BIOCON PARK,PLOT NO.2 3"}]
12-May-2021
12-May-2021
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