Also known as: Magnacort, Ethamicort, Ulcort, Hydrocortamate hcl, 125-03-1, Nsc-12884

Molecular Formula

C₂₇H₄₂ClNO₆

Molecular Weight

512.1 g/mol

InChI Key

AKQNAIYKSALPKV-OYHXESGYSA-N

FDA UNII

9QM8U7R83W

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[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] 2-(diethylamino)acetate;hydrochloride

2.1.2 InChI

InChI=1S/C27H41NO6.ClH/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4;/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3;1H/t19-,20-,21-,24+,25-,26-,27-;/m0./s1

2.1.3 InChI Key

AKQNAIYKSALPKV-OYHXESGYSA-N

2.1.4 Canonical SMILES

CCN(CC)CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O.Cl

2.1.5 Isomeric SMILES

CCN(CC)CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O.Cl

2.2 Other Identifiers

2.2.1 UNII

9QM8U7R83W

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Magnacort

2. Ethamicort

3. Ulcort

4. Hydrocortamate Hcl

5. 125-03-1

6. Nsc-12884

7. 9qm8u7r83w

8. Chebi:50854

9. Hydrocortisone 21-(diethylamino)acetate Hydrochloride

10. Einecs 204-723-4

11. Unii-9qm8u7r83w

12. Hydrocortamate Chloride

13. 17-hydroxycorticosterone 21-(diethylamino)acetate Hydrochloride

14. 11beta,17alpha,21-trihydroxypregn-4-ene-3,20-dione 21-diethylaminoacetate Hydrochloride

15. Schembl1237011

16. Chembl1200635

17. Cortisol, 21-ester With N,n-diethylglycine, Hydrochloride

18. Dtxsid301027630

19. Glycine, N,n-diethyl-, 21-ester With Cortisol, Hydrochloride

20. Nsc12884

21. Nsc 12884

22. Cortisol,n-diethylglycine, Hydrochloride

23. Hydrocortamate Hydrochloride [mi]

24. Glycine, N,n-diethyl-, (11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl Ester, Hydrochloride

25. Hydrocortamate Hydrochloride [mart.]

26. Hydrocortamate Hydrochloride [who-dd]

27. Hydrocortamate Hydrochloride [orange Book]

28. Hydrocortisone 21-diethylaminoacetate Hydrochloride

29. Q27122238

30. 17-hydroxycorticosterone 21-diethylaminoacetate Hydrochloride

31. [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] 2-(diethylamino)acetate;hydrochloride

32. 11.beta.,17.alpha.,21-trihydroxypregn-4-ene-3,20-dione 21-diethylaminoacetate Hydrochloride

33. Glycine,n-diethyl-, (11.beta.)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl Ester, Hydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₄₂ClNO₆
Molecular Weight	512.1 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	511.2700658 g/mol
Monoisotopic Mass	511.2700658 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	880
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Ethamicort

Ethamicort

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1 FDF Dossiers

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