571203-78-6
ERASTIN
Name
ERASTIN
Formula
C30 H31 Cl N4 O4
MolWeight
547.052
1Identification
【Name】
ERASTIN
【CAS】
【MDL】
MFCD09837984
【English Synonyms】
【Formula】
C30 H31 Cl N4 O4
【MolWeight】
547.052
【Inchi】
InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3
【InChIKey】
InChIKey=BKQFRNYHFIQEKN-UHFFFAOYSA-N
【SMILES】
CCOc1ccccc1n2c(=O)c3ccccc3nc2C(C)N4CCN(CC4)C(=O)COc5ccc(cc5)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
ERASTIN.cml
Quick Release
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