Tox21_202573

Synopsis, Chemistry

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Also known as: 123-94-4, Monostearin, Glycerol monostearate, 31566-31-1, 1-stearoyl-rac-glycerol, Glyceryl stearate

Molecular Formula

C₂₁H₄₂O₄

Molecular Weight

358.6 g/mol

InChI Key

VBICKXHEKHSIBG-UHFFFAOYSA-N

FDA UNII

258491E1RZ

1-Monostearin is a metabolite found in the aging mouse brain.

1 2D Structure

Tox21_202573

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydroxypropyl octadecanoate

2.1.2 InChI

InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3

2.1.3 InChI Key

VBICKXHEKHSIBG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O

2.2 Other Identifiers

2.2.1 UNII

258491E1RZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Monostearin

2.3.2 Depositor-Supplied Synonyms

1. 123-94-4

2. Monostearin

3. Glycerol Monostearate

4. 31566-31-1

5. 1-stearoyl-rac-glycerol

6. Glyceryl Stearate

7. Tegin

8. 1-monostearin

9. Glycerin 1-monostearate

10. Stearin, 1-mono-

11. Stearic Acid 1-monoglyceride

12. 1-monostearoylglycerol

13. 2,3-dihydroxypropyl Octadecanoate

14. Octadecanoic Acid, 2,3-dihydroxypropyl Ester

15. Glycerol 1-monostearate

16. 1-glyceryl Stearate

17. Glycerin 1-stearate

18. Glycerol 1-stearate

19. Sandin Eu

20. Glyceryl 1-monostearate

21. Aldo Msd

22. Aldo Mslg

23. Stearoylglycerol

24. Arlacel 165

25. Tegin 55g

26. Alpha-monostearin

27. Emerest 2407

28. Aldo 33

29. Aldo 75

30. .alpha.-monostearin

31. 3-stearoyloxy-1,2-propanediol

32. Glycerin Monostearate

33. 2,3-dihydroxypropyl Stearate

34. Cerasynt Sd

35. Glyceryl Stearates

36. Stearin, Mono-

37. Glycerol Alpha-monostearate

38. Monoglyceryl Stearate

39. Fema No. 2527

40. Tegin 515

41. Monostearate (glyceride)

42. Glyceryl Monooctadecanoate

43. 1-monostearoyl-rac-glycerol

44. 1-octadecanoyl-rac-glycerol

45. Nsc 3875

46. Glycerol .alpha.-monostearate

47. Glycerol Monostearate, Purified

48. Nsc3875

49. Stearic Acid .alpha.-monoglyceride

50. Monostearin (l)

51. Glyceryl 1-octadecanoate

52. 22610-63-5

53. Stearic Acid, Monoester With Glycerol

54. Glyceryl Monopalmitostearate

55. Mg(18:0/0:0/0:0)[rac]

56. Chebi:75555

57. 1,2,3-propanetriol, Homopolymer, Isooctadecanoate

58. Nsc-3875

59. Octadecanoic Acid, Monoester With 1,2,3-propanetriol

60. 258491e1rz

61. 1-stearoyl-rac-glycerol (90per Cent)

62. 83138-62-9

63. Ncgc00164529-01

64. Dsstox_cid_9160

65. Dsstox_rid_78691

66. Dsstox_gsid_29160

67. 85666-92-8

68. Cefatin

69. Dermagine

70. Monelgin

71. Sedetine

72. Admul

73. Orbon

74. Citomulgan M

75. Drewmulse V

76. Mfcd00036186

77. Cerasynt S

78. Drewmulse Tp

79. Cerasynt Se

80. Cerasynt Wm

81. Cyclochem Gms

82. Drumulse Aa

83. Protachem Gms

84. Witconol Ms

85. Witconol Mst

86. Unimate Gms

87. Ogeen M

88. Emcol Ca

89. Emcol Msk

90. Hodag Gms

91. Ogeen Grb

92. Ogeen Mav

93. Aldo Hms

94. Aldo Ms

95. Celinhol - A

96. (+/-)-2,3-dihydroxypropyl Octadecanoate; 1-glyceryl Stearate; 1-monooctadecanoylglycerol; 1-monostearin

97. Cas-123-94-4

98. Armostat 801

99. Myvaplex 600

100. Stearic Monoglyceride

101. Kessco 40

102. Abracol S.l.g.

103. Advawax 140

104. Arlacel 161

105. Arlacel 169

106. Imwitor 191

107. Imwitor 900k

108. Atmul 67

109. Atmul 84

110. Starfol Gms 450

111. Starfol Gms 600

112. Starfol Gms 900

113. Stearic Acid Alpha-monoglyceride

114. Cerasynt 1000-d

115. Emerest 2401

116. Aldo-28

117. Aldo-72

118. Atmos 150

119. Atmul 124

120. Estol 603

121. Glycerol Stearate, Pure

122. Grocor 5500

123. Grocor 6000

124. Ogeen 515

125. Tegin 503

126. Rac-glycerol 1-stearate

127. Lipo Gms 410

128. Lipo Gms 450

129. Lipo Gms 600

130. Einecs 204-664-4

131. Einecs 245-121-1

132. Usaf Ke-7

133. Emul P.7

134. Tegin 90

135. Unii-230ou9xxe4

136. Cremophor Gmsk

137. Cerasynt-sd

138. Lonzest Gms

139. Cutina Gms

140. 1-monooctadecanoyl-rac-glycerol

141. Glycerol Stearate

142. Glyceryl Monostearate [jan:nf]

143. Nikkol Mgs-a

144. Unii-258491e1rz

145. Tegin (related)

146. (1)-2,3-dihydroxypropyl Stearate

147. Einecs 250-705-4

148. Glyceroli Monostearas

149. 1,2,3-propanetriol Monooctadecanoate

150. Eastman 600

151. Imwitor 491

152. 1-o-stearoylglycerol

153. Sorbon Mg-100

154. 1-octadecanoylglycerol

155. Cithrol Gms 0400

156. Monostearin (related)

157. Glycerol Mono Stearate

158. Rac-octadecanoylglycerol

159. Glycerol 1-octadecanoate

160. Rac-glyceryl Monostearate

161. Ai3-00966

162. Tegin 515 (related)

163. Glycerol .alpha.-sterate

164. 1-monooctadecanoylglycerol

165. Rac-1-monostearoylglycerol

166. Monoglycerides, C16-18

167. (+-)-1-stearoylglycerol

168. Ec 250-705-4

169. Glyceryl 1-stearate

170. Schembl4488

171. (+-)-glyceryl Monostearate

172. Geleol Mono And Diglycerides

173. Glyceryl Stearate (related)

174. Dsstox_rid_78757

175. Dsstox_gsid_29304

176. Glycerol Monostearate (gms)

177. (+-)-1-monostearoylglycerol

178. (+-)-1-octadecanoylglycerol

179. Glycerides, C16-18 Mono-

180. Glycerol Monostearate 40-55

181. 230ou9xxe4

182. Chembl255696

183. Glyceryl Monostearate (related)

184. 2,3-dihydroxypropyl Stearate #

185. Dtxsid7029160

186. Chebi:75557

187. 1-stearoyl-rac-glycerol (90%)

188. Glyceryl Monostearate (jp17/nf)

189. 1-stearoyl-rac-glycerol, >=99%

190. Einecs 238-880-5

191. Tox21_112160

192. Tox21_202573

193. Tox21_301104

194. Glyceryl Monostearate 40-50

195. Lmgl01010003

196. Rac-2,3-dihydroxypropyl Octadecanoate

197. Akos015901589

198. Tox21_112160_1

199. Db11250

200. (+-)-2,3-dihydroxypropyl Octadecanoate

201. Ncgc00164529-02

202. Ncgc00164529-03

203. Ncgc00164529-04

204. Ncgc00255004-01

205. Ncgc00260122-01

206. Octadecanoic Acid,3-dihydroxypropyl Ester

207. 1,2,3-propanetriol 1-octadecanoyl Ester

208. Bs-50505

209. Cas-11099-07-3

210. Ft-0626740

211. Ft-0626748

212. Ft-0674656

213. G0085

214. Octadecanoic Acid, 2.3-dihydroxypropyl Ester

215. D01947

216. F71433

217. S-7950

218. (+/-)-2,3-dihydroxypropyl Octadecanoate

219. A890632

220. A903419

221. Sr-01000944874

222. Q-201168

223. Q5572563

224. Sr-01000944874-1

225. W-110285

226. 342394-34-7

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₄₂O₄
Molecular Weight	358.6 g/mol
XLogP3	7.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	20
Exact Mass	358.30830982 g/mol
Monoisotopic Mass	358.30830982 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	281
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1