956965-81-4
2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 3-(2-CHLOROPHENYL)-4-ISOXAZOLECARBOXYLATE
Name
2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 3-(2-CHLOROPHENYL)-4-ISOXAZOLECARBOXYLATE
pro_formula
C25 H22 Cl N3 O5
pro_molWeight
479.918
1Identification
【Name】
2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 3-(2-CHLOROPHENYL)-4-ISOXAZOLECARBOXYLATE
【CAS】
【MDL】
MFCD05670071
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25 H22 Cl N3 O5
【pro_molWeight】
479.918
【Inchi】
InChI=1S/C25H22ClN3O5/c1-14(30)29-19(11-25(2)12-21(31)27-24(25)29)16-8-4-6-10-20(16)34-23(32)17-13-33-28-22(17)15-7-3-5-9-18(15)26/h3-10,13,19,24H,11-12H2,1-2H3,(H,27,31)/t19?,24?,25-/m1/s1
【InChIKey】
InChIKey=MKNJYWSTMMLIER-GJWKQQKWSA-N
【SMILES】
CC(=O)N1C(C[C@]2(C1NC(=O)C2)C)c3ccccc3OC(=O)c4conc4c5ccccc5Cl
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[(3AR)-1-ACETYL-3A-METHYL-5-OXOOCTAHYDROPYRROLO[2,3-B]PYRROL-2-YL]PHENYL 3-(2-CHLOROPHENYL)-4-ISOXAZOLECARBOXYLATE.cml
quick_release
ERGOCORNININE
564-37-4
DIHYDROERGOTOXINE MESYLATE
17479-19-5 ;8067-24-1
EPICRIPTINE
88660-47-3
DESOCRIPTINE
66759-48-6
BROMOCRIPTINE
25614-03-3 ;22260-51-1
ERGOSINE
561-94-4
SuppliersList
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DIHYDROERGOTOXINE MESYLATE
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EPICRIPTINE
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DESOCRIPTINE
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BROMOCRIPTINE
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ERGOSINE
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