loader
Please Wait
Applying Filters...

Seqens Seqens

X

Technical details about 0388G963HY, learn more about the structure, uses, toxicity, action, side effects and more

Client Email Product
Menu
2D Structure
Also known as: 6000-74-4, Hidroaltesona, Cortisol sodium phosphate, Cortisol 21-(disodium phosphate), Hydrocortone phosphate, Hydrocortisone disodium phosphate
Molecular Formula
C21H29Na2O8P
Molecular Weight
486.4  g/mol
InChI Key
RYJIRNNXCHOUTQ-OJJGEMKLSA-L
FDA UNII
0388G963HY

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
disodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
2.1.2 InChI
InChI=1S/C21H31O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1
2.1.3 InChI Key
RYJIRNNXCHOUTQ-OJJGEMKLSA-L
2.1.4 Canonical SMILES
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COP(=O)([O-])[O-])O)C)O.[Na+].[Na+]
2.1.5 Isomeric SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COP(=O)([O-])[O-])O)C)O.[Na+].[Na+]
2.2 Other Identifiers
2.2.1 UNII
0388G963HY
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Cortisol 21-phosphate

2. Hydrocortisone 21-phosphate

2.3.2 Depositor-Supplied Synonyms

1. 6000-74-4

2. Hidroaltesona

3. Cortisol Sodium Phosphate

4. Cortisol 21-(disodium Phosphate)

5. Hydrocortone Phosphate

6. Hydrocortisone Disodium Phosphate

7. Hydrocortisone 21-sodium Phosphate

8. Sodium Hydrocortisone 21-phosphate

9. Chebi:5781

10. 0388g963hy

11. Actocortina

12. Efcortesol

13. Physiocortison

14. Idracemi

15. Ncgc00167464-01

16. Unii-0388g963hy

17. Einecs 227-843-9

18. Dsstox_cid_26647

19. Dsstox_rid_81792

20. Hydrocortone Phosphate (tn)

21. Dsstox_gsid_46647

22. Schembl42271

23. Hydrocortisone Sodium Phosphate [usan:usp:ban:jan]

24. Chembl1200968

25. Dtxsid5046647

26. Cortisol, 21-(dihydrogen Phosphate), Disodium Salt

27. Tox21_112468

28. Akos025311211

29. Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, Disodium Salt, (11.beta.)-

30. Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, Disodium Salt, (11beta)-

31. Hydrocortisone 21-phosphate Disodium Salt

32. Cas-6000-74-4

33. Hydrocortisone Sodium Phosphate (jp17/usp)

34. Hydrocortisone Sodium Phosphate [jan]

35. Hydrocortisone Sodium Phosphate [usan]

36. D00977

37. Hydrocortisone Sodium Phosphate [mart.]

38. Hydrocortisone Sodium Phosphate [vandf]

39. Hydrocortisone Sodium Phosphate [who-dd]

40. Hydrocortisone Sodium Phosphate [orange Book]

41. Hydrocortisone 21-phosphate Disodium Salt [mi]

42. Hydrocortisone Sodium Phosphate [usp Monograph]

43. Q27106889

44. Disodium 11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl Phosphate

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 486.4 g/mol
Molecular Formula C21H29Na2O8P
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass486.13954344 g/mol
Monoisotopic Mass486.13954344 g/mol
Topological Polar Surface Area147 Ų
Heavy Atom Count32
Formal Charge0
Complexity836
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
Post Enquiry
POST ENQUIRY