87539-19-3
(4aS,4bR,10bS,12aS)-12a-甲基-2-羰基-1,2,3,4,4a,4b,5,6,10b,11,12,12a-十二氢萘并[2,1-f]喹啉-8-基 {4-[二(2-氯乙基)氨基]苯基}乙酸酯
Name
(4aS,4bR,10bS,12aS)-12a-甲基-2-羰基-1,2,3,4,4a,4b,5,6,10b,11,12,12a-十二氢萘并[2,1-f]喹啉-8-基 {4-[二(2-氯乙基)氨基]苯基}乙酸酯
pro_formula
C24 H28 F N3 O2 . Cl H
pro_molWeight
445.963
1Identification
【Name】
(4aS,4bR,10bS,12aS)-12a-甲基-2-羰基-1,2,3,4,4a,4b,5,6,10b,11,12,12a-十二氢萘并[2,1-f]喹啉-8-基 {4-[二(2-氯乙基)氨基]苯基}乙酸酯
【CAS】
【MDL】
MFCD00083200
【中文同义词】
【EnglishSynonyms】
N-METHYL-8-[4-(4-FLUOROPHENYL)-4-OXOBUTYL]-1-PHENYL-1,3,8-TRIAZASPIRO-[4.5]DECAN-4-ONE HYDROCHLORIDE
【pro_formula】
C24 H28 F N3 O2 . Cl H
【pro_molWeight】
445.963
【Inchi】
InChI=1S/C24H28FN3O2.ClH/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19;/h2-4,6-7,9-12H,5,8,13-18H2,1H3;1H
【InChIKey】
InChIKey=OGOQOKYYPNFSOL-UHFFFAOYSA-N
【SMILES】
CN1CN(C2(C1=O)CCN(CC2)CCCC(=O)c3ccc(cc3)F)c4ccccc4.Cl
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
【secure_wgk_germany】
3
4CMLFile
(4aS,4bR,10bS,12aS)-12a-甲基-2-羰基-1,2,3,4,4a,4b,5,6,10b,11,12,12a-十二氢萘并[2,1-f]喹啉-8-基 {4-[二(2-氯乙基)氨基]苯基}乙酸酯.cml
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