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4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile

4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile ??? ???
?? ??:
138401-24-8
???:
4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile
???(??):
CyanoIrbesartan;4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile;2-Butyl-3-[[2'-cyano-[1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4,4]non-1-en-4-one;Irbint-A04;4'-[(2-Butyl-4-oxo-1;Irbesartan IMpurity B;Irbesartan Alkylation;IrbesartanHydrocarbon;Irbesartan Impurity 12;Irbesartan Cyano IMpurity
CBNumber:
CB4259312
???:
C25H27N3O
??? ??:
385.5
MOL ??:
138401-24-8.mol

4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile ??

???
95-97°C
?? ?
576.5±60.0 °C(Predicted)
??
1.15
???
0Pa at 20℃
?? ??
Sealed in dry,Room Temperature
???
???? ???
??? ??
?? ??
?? ?? (pKa)
2.45±0.20(Predicted)
??
???? ?? ??
InChI
InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3
InChIKey
KWEQEHOPDHARIA-UHFFFAOYSA-N
SMILES
C1(C2=CC=C(CN3C(=O)C4(CCCC4)N=C3CCCC)C=C2)=CC=CC=C1C#N
LogP
3.7 at 20℃ and pH7
????
72.5mN/m at 1.025mg/L and 20℃
CAS ??????
138401-24-8(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? N
?? ???? ?? 50/53
????? 60-61
????(UN No.) 3077
HS ?? 2933.29.4300
????(GHS): Exclamation Mark (GHS07)Environment (GHS09)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H410 ??? ??? ?? ????? ?? ??? ?? ????? ?? - ?? ?? 1 ?? P273, P391, P501
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P270 ? ??? ??? ??? ???, ???? ???? ???.
P271 ?? ?? ??? ? ?? ???? ?????.
P273 ???? ???? ???.
P280 ????/???/???/?????? ?????.
P391 ???? ????.
P501 ...? ??? / ??? ?? ???.

4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile C??? ??, ??, ??

??? ??

4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile is WHite Solid

??

4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile is a butyldiazaspirononenone derivative used in the preparation of acetylcholinesterase inhibitors. An impurity found in Irbesartan (I751000).

4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile ?? ?? ? ???

???

?? ??


4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile ?? ??

???( 259)?? ??
??? ?? ??? ?? ?? ? ??
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4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile ?? ??:

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