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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 82-02-0, Visammin, Methafrone, Coronin, Amicardine, Viscardan

Molecular Formula

C₁₄H₁₂O₅

Molecular Weight

260.24 g/mol

InChI Key

HSMPDPBYAYSOBC-UHFFFAOYSA-N

FDA UNII

5G117T0TJZ

A vasodilator that also has bronchodilatory action. It has been employed in the treatment of angina pectoris, in the treatment of asthma, and in conjunction with ultraviolet light A, has been tried in the treatment of vitiligo. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1024)

1 2D Structure

Khellin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one

2.1.2 InChI

InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3

2.1.3 InChI Key

HSMPDPBYAYSOBC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC

2.2 Other Identifiers

2.2.1 UNII

5G117T0TJZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Visammin

2.3.2 Depositor-Supplied Synonyms

1. 82-02-0

2. Visammin

3. Methafrone

4. Coronin

5. Amicardine

6. Viscardan

7. Amikellin

8. Ammipuran

9. Ammivisnagen

10. Benecardin

11. Corafurone

12. Gynokhellan

13. Medekellin

14. Ammivin

15. Kelourin

16. Khelloyd

17. Rykellin

18. Interkhellin

19. Ammispasmin

20. Interkellin

21. Kalangin

22. Kelicorin

23. Kelincor

24. Khelangin

25. Khellamine

26. Khellanals

27. Khellinorm

28. Visammimix

29. Visnagalin

30. Kelamin

31. Norkel

32. Kellosal

33. Khelfren

34. Khelisem

35. Lynamine

36. Mefurina

37. Simeskellina

38. Vasokellina

39. Visnagen

40. Amiptan

41. Chellin

42. Kelicor

43. Kellin

44. Kellina

45. Keloid

46. Eskel

47. Cardio-khellin

48. Ammi-khellin

49. Bi-kellina

50. Benekardin

51. Khelline I

52. Chellina

53. Khelline

54. Ammicardine

55. 4,9-dimethoxy-7-methyl-5h-furo[3,2-g]chromen-5-one

56. Khellinum

57. Quelina

58. 4,9-dimethoxy-7-methyl-5h-furo(3,2-g)(1)benzopyran-5-one

59. 5,8-dimethoxy-2-methyl-6,7-furanochromone

60. Viscardin

61. 4,9-dimethoxy-7-methyl-5-oxofuro(3,2-g)-1,2-chromene

62. 5h-furo[3,2-g][1]benzopyran-5-one, 4,9-dimethoxy-7-methyl-

63. 5,8-dimethoxy-2-methyl-4',5'-furo-6,7-chromone

64. It-033

65. Chebi:6133

66. 5,8-dimethoxy-2-methyl-4',5'-furano-6,7-chromone

67. 4,9-dimethoxy-7-methyl-5-oxo-1,8-dioxabenz-(f)indene

68. 4,9-dimethoxy-7-methyl-5-oxofuro(3,2-g)(1)benzopyran

69. Nsc37744

70. Nsc-25509

71. Nsc-37744

72. 5h-furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-methyl-

73. Chorafurone

74. Vismagen

75. Khell

76. Mls000028448

77. 5g117t0tjz

78. 4,9-dimethoxy-7-methyl-5h-furo[3,2-g][1]benzopyran-5-one

79. Nsc8519

80. 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one

81. 5,7-furanochromone

82. Cas-82-02-0

83. Ncgc00016327-01

84. Smr000058278

85. 4,2-g][1]benzopyran

86. 4,8-dioxabenz-[f]indene

87. 4,2-g]-1,2-chromene

88. Dsstox_cid_25267

89. Dsstox_rid_80779

90. Dsstox_gsid_45267

91. 5,5'-furo-6,7-chromone

92. 5,5'-furano-6,7-chromone

93. Chellina [italian]

94. 4,2-g][1]benzopyran-5-one

95. Khellin [inn:dcf]

96. Khelline [inn-french]

97. Khellinum [inn-latin]

98. Quelina [inn-spanish]

99. 5h-furo[3, 4,9-dimethoxy-7-methyl-

100. Wln: T C566 Do Jv Moj Bo1 Ho1 L1

101. Sr-01000000072

102. Einecs 201-392-8

103. Nsc 25509

104. Nsc 37744

105. Brn 0263185

106. Unii-5g117t0tjz

107. Gynokhellin

108. Intercellin

109. Hkelfren

110. Ai3-52114

111. Prestwick_287

112. Mfcd00005007

113. Spectrum_000079

114. Khellin, For Microscopy

115. Opera_id_372

116. 4,9-dimethoxy-7-methyl-5h-furo[3,2-g]-[1]benzopyran-5-one

117. Khellin [inn]

118. Khellin [mi]

119. Khellin [mart.]

120. Prestwick0_000091

121. Prestwick1_000091

122. Prestwick2_000091

123. Prestwick3_000091

124. Spectrum2_000593

125. Spectrum3_000654

126. Spectrum4_001557

127. Spectrum5_000154

128. Khellin [who-dd]

129. Bmse000751

130. Schembl9655

131. Khellin, Analytical Standard

132. Bspbio_000042

133. Bspbio_002287

134. Kbiogr_002054

135. Kbioss_000479

136. Spectrum210866

137. 5-19-06-00320 (beilstein Handbook Reference)

138. Mls001076533

139. Chembl44746

140. Divk1c_000046

141. 5,9-dimethoxy-2-methylfurano[3,2-g]chromen-4-one

142. Spbio_000466

143. Spbio_001981

144. Bpbio1_000048

145. Megxp0_000331

146. Dtxsid9045267

147. Acon0_000983

148. Acon1_000350

149. Hms500c08

150. Hsmpdpbyaysobc-uhfffaoysa-

151. Kbio1_000046

152. Kbio2_000479

153. Kbio2_003047

154. Kbio2_005615

155. Kbio3_001507

156. Zinc56654

157. Ninds_000046

158. Hms1568c04

159. Hms1923m07

160. Hms2095c04

161. Hms2230b16

162. Hms3371c21

163. Hms3712c04

164. Pharmakon1600-00210866

165. Albb-025052

166. Hy-b1394

167. Nsc-8519

168. Nsc25509

169. Tox21_110374

170. Bdbm50480260

171. Ccg-36453

172. Lmpk13110001

173. Nsc755826

174. S5887

175. Stl561007

176. Akos002281934

177. Tox21_110374_1

178. Nsc-755826

179. Sdccgmls-0003040.p003

180. Idi1_000046

181. Ncgc00016327-02

182. Ncgc00016327-03

183. Ncgc00016327-04

184. Ncgc00016327-05

185. Ncgc00016327-06

186. Ncgc00016327-07

187. Ncgc00016327-08

188. Ncgc00016327-09

189. Ncgc00016327-11

190. Ncgc00023424-03

191. Ncgc00023424-04

192. Ncgc00169160-01

193. Ncgc00169160-02

194. Ncgc00169160-03

195. As-35307

196. Sbi-0051567.p002

197. Cs-0013121

198. Ft-0627578

199. K0039

200. C09010

201. K-3400

202. Ab00052134_16

203. 4,9-dimethoxy-7-methyl-furo[3,2-g]chromen-5-one

204. Q2079998

205. Sr-01000000072-3

206. Sr-01000000072-4

207. Sr-01000000072-5

208. Sr-01000000072-6

209. Brd-k80353807-001-05-5

210. Brd-k80353807-001-06-3

211. Brd-k80353807-001-16-2

212. 4,9-dimethoxy-7-methylpyrano[3,2-f][1]benzoxol-5-one

213. 4,9-dimethoxy-7-methyl-5h-furo[3,2-g]chromen-5-one #

214. Ncgc00016327-13!4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₂O₅
Molecular Weight	260.24 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	260.06847348 g/mol
Monoisotopic Mass	260.06847348 g/mol
Topological Polar Surface Area	57.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	405
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1