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Desoxycorticosterone Acetate

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Synopsis

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Chemistry

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Also known as: 56-47-3, Desoxycorticosterone acetate, Desoxycortone acetate, Doca, Cortexone acetate, Percotol

Molecular Formula

C₂₃H₃₂O₄

Molecular Weight

372.5 g/mol

InChI Key

VPGRYOFKCNULNK-ACXQXYJUSA-N

FDA UNII

6E0A168OB8

The 21-acetate derivative of desoxycorticosterone.

1 2D Structure

Desoxycorticosterone Acetate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

2.1.2 InChI

InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1

2.1.3 InChI Key

VPGRYOFKCNULNK-ACXQXYJUSA-N

2.1.4 Canonical SMILES

CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

6E0A168OB8

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Acetate, Desoxycortone

2. Deoxycorticosterone 21 Acetate

3. Deoxycorticosterone-21-acetate

4. Desoxycorticosterone 21 Acetate

5. Desoxycorticosterone Acetate

6. Desoxycorticosterone-21-acetate

7. Desoxycortone Acetate

8. Doc 21 Acetate

9. Doc-21-acetate

10. Doca

11. Syncortyl

2.3.2 Depositor-Supplied Synonyms

1. 56-47-3

2. Desoxycorticosterone Acetate

3. Desoxycortone Acetate

4. Doca

5. Cortexone Acetate

6. Percotol

7. Doc Acetate

8. 11-deoxycorticosterone Acetate

9. Decosteron

10. Decosterone

11. Sincortex

12. Syncortyl

13. Deoxycortone Acetate

14. Descorterone

15. Pregn-4-ene-3,20-dione, 21-(acetyloxy)-

16. Cortacet

17. Cortenil

18. Cortesan

19. Cortifar

20. Cortigen

21. Cortinaq

22. Cortiron

23. Cortivis

24. Cortixyl

25. Decorten

26. Decorton

27. Decostrate

28. Descornaq

29. Desocort

30. Docaquosum

31. Dorcostrin

32. Doxatone

33. Doxycamon

34. Krinocorts

35. Mincortid

36. Ocritena

37. Primocort

38. Primocortan

39. Syncorta

40. Unidocan

41. Arcort

42. Cortate

43. Ocriten

44. Steraq

45. Doca Acetate

46. Bio-corten

47. 3,20-dioxopregn-4-en-21-yl Acetate

48. Doc-ac

49. 21-(acetyloxy)-pregn-4-ene-3,20-dione

50. Organon's Doca Acetate

51. 21-acetoxypregn-4-ene-3,20-dione

52. Percorten

53. Syncort

54. Deoxycorticosterone 21-acetate

55. 11-desoxycorticosterone Acetate

56. Desoxycorticosterone-21-acetate

57. Corticosterone, Deoxy-, Acetate

58. 4-pregnene-3,20-dione-21-ol Acetate

59. 11-deoxycorticosterone 21-acetate

60. 4-pregnene-3,20-dione 21-acetate

61. Doxo

62. 21-acetoxy-3,20-diketopregn-4-ene

63. 21-hydroxypregn-4-ene-3,20-dione 21-acetate

64. Pregn-4-ene-3,20-dione, 21-hydroxy-, Acetate

65. Mls000028509

66. Chebi:34671

67. 6e0a168ob8

68. Desoxycorticosterone Acetate [usp]

69. Nsc-9567

70. Ncgc00022043-04

71. Desoxykorton

72. Cortormon

73. Percortene

74. Smr000058339

75. Dsstox_cid_2894

76. Dsstox_rid_76777

77. Dsstox_gsid_22894

78. Descotone

79. 2-((8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl Acetate

80. 11-deoxycorticosterone, Acetate

81. Desoxycorticosterone Acetate (usp)

82. Cas-56-47-3

83. Ccris 7517

84. Nsc 9567

85. Einecs 200-275-9

86. Brn 2570798

87. Unii-6e0a168ob8

88. 21-acetoxypregn-4-en-3,20-dione

89. 21-acetoxy-4-pregnene-3,20-dione

90. 21-acetyloxypregn-4-ene-3,20-dione

91. Doca (tn)

92. Opera_id_47

93. St075186

94. Schembl4169

95. Deoxy Corticosterone Acetate

96. 4-08-00-02195 (beilstein Handbook Reference)

97. Mls001074065

98. Megxm0_000470

99. Chembl1200542

100. Dtxsid6022894

101. Niosh/tu5076000

102. Acon1_002189

103. 11-deoxycorticosterone21-acetate

104. Deoxycorticosterone Acetate, 98%

105. Hms2230b14

106. Hy-b1472

107. Zinc4428527

108. Tox21_110876

109. Mfcd00003660

110. S4243

111. Desoxycortone Acetate [mart.]

112. Akos004910359

113. Akos015837895

114. Desoxycortone Acetate [who-dd]

115. Tox21_110876_1

116. Ccg-268330

117. Cs-5159

118. Db06780

119. Deoxycorticosterone Acetate [mi]

120. Ncgc00022043-05

121. Ncgc00022043-06

122. [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] Acetate

123. [2-[(8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] Acetate

124. 2-((1s,10s,11s,14s,15s,2r)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0<2,7>.0<11,15> ]heptadec-6-en-14-yl)-2-oxoethyl Acetate

125. As-11731

126. 3,20-dioxopregn-4-en-21-yl Acetate #

127. Desoxycortone Acetate [ep Impurity]

128. 21-hydroxypregn-4-ene-3,20-dione Acetate

129. Desoxycorticosterone Acetate [vandf]

130. D0047

131. Desoxycorticosterone Acetate [usp-rs]

132. Tu50760000

133. D03698

134. D81855

135. Ab00383000_10

136. 003d660

137. A831058

138. Desoxycorticosterone Acetate [orange Book]

139. Desoxycorticosterone Acetate [usp Impurity]

140. Sr-01000000097

141. 21-hydroxypregn-4-ene-3,20-dione Acetate (ester)

142. Sr-01000000097-3

143. W-105514

144. Brd-k24556098-001-01-9

145. Brd-k24556098-001-19-1

146. Q27116214

147. Pregn-4-ene-3,20-dione, 21-hydroxy-, Acetate (ester)

148. Desoxycortone Acetate, European Pharmacopoeia (ep) Reference Standard

149. Deoxycorticosterone Acetate, United States Pharmacopeia (usp) Reference Standard

150. 2-((8s,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)-2-oxoethylacetate

151. Acetic Acid [2-keto-2-[(8s,9s,10r,13s,14s,17s)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] Ester

2.4 Create Date

2005-06-29

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₂O₄
Molecular Weight	372.5 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	372.23005950 g/mol
Monoisotopic Mass	372.23005950 g/mol
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	707
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Mineralocorticoids

A group of CORTICOSTEROIDS primarily associated with water and electrolyte balance. This is accomplished through the effect on ION TRANSPORT in renal tubules, resulting in retention of sodium and loss of potassium. Mineralocorticoid secretion is itself regulated by PLASMA VOLUME, serum potassium, and ANGIOTENSIN II. (See all compounds classified as Mineralocorticoids.)

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