50292-95-0
PERGASCRIPT RED I 6B
Name
PERGASCRIPT RED I 6B
Formula
C42 H52 N2 O2
MolWeight
616.885
1Identification
【Name】
PERGASCRIPT RED I 6B
【CAS】
【MDL】
MFCD09838640
【English Synonyms】
【Formula】
C42 H52 N2 O2
【MolWeight】
616.885
【Inchi】
InChI=1S/C42H52N2O2/c1-5-7-9-11-13-21-29-43-31(3)39(34-24-16-19-27-37(34)43)42(36-26-18-15-23-33(36)41(45)46-42)40-32(4)44(30-22-14-12-10-8-6-2)38-28-20-17-25-35(38)40/h15-20,23-28H,5-14,21-22,29-30H2,1-4H3
【InChIKey】
InChIKey=XOEUNIAGBKGZLU-UHFFFAOYSA-N
【SMILES】
CCCCCCCCn1c(c(c2c1cccc2)C3(c4ccccc4C(=O)O3)c5c(n(c6c5cccc6)CCCCCCCC)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:13.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PERGASCRIPT RED I 6B.cml
Quick Release
FCHGROUP FCH652640
5-BROMO-4-[(3-HYDROXYPYRROLIDIN-1-YL)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID
FCHGROUP FCH652642
2-FLUORO-5-[(3-HYDROXYPYRROLIDIN-1-YL)SULFONYL]BENZOIC ACID
3-([2-(4-METHOXYPHENYL)ETHYL]AMINO)-1-METHYL-1,2-DIHYDROPYRAZIN-2-ONE
3-([2-(2-FLUOROPHENYL)ETHYL]AMINO)-1-METHYL-1,2-DIHYDROPYRAZIN-2-ONE
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FCHGROUP FCH652640
5-BROMO-4-[(3-HYDROXYPYRROLIDIN-1-YL)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID
FCHGROUP FCH652642
2-FLUORO-5-[(3-HYDROXYPYRROLIDIN-1-YL)SULFONYL]BENZOIC ACID
3-([2-(4-METHOXYPHENYL)ETHYL]AMINO)-1-METHYL-1,2-DIHYDROPYRAZIN-2-ONE
3-([2-(2-FLUOROPHENYL)ETHYL]AMINO)-1-METHYL-1,2-DIHYDROPYRAZIN-2-ONE