58816-69-6
SB 297006
Name
SB 297006
Formula
C18 H18 N2 O5
MolWeight
342.349
1Identification
【Name】
SB 297006
【CAS】
【MDL】
MFCD19690954
【English Synonyms】
【Formula】
C18 H18 N2 O5
【MolWeight】
342.349
【Inchi】
InChI=1S/C18H18N2O5/c1-2-25-18(22)16(19-17(21)14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(23)24/h3-11,16H,2,12H2,1H3,(H,19,21)/t16-/m0/s1
【InChIKey】
InChIKey=BEZXGSZPWXRHIN-INIZCTEOSA-N
【SMILES】
CCOC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)c2ccccc2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
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
SB 297006.cml
Quick Release
3-PYRROLIDINECARBOXYLIC ACID, 1-(1-METHYLETHYL)-5-OXO-, (3S)-
428518-39-2
2-PYRROLIDINONE, 4-MERCAPTO-1-METHYL-, (4S)-
252642-43-6
1-CYCLOPENTENE-1-CARBOXYLIC ACID, 2-METHYL-5-(1-METHYLETHYL)-, (5R)-
371151-26-7
(S)-4-AMINO-1-METHYLPYRROLIDIN-2-ONE
770706-26-8
15-DEOXY-DELTA12,14-PROSTAGLANDIN J2
87893-55-8 ;89886-60-2
2-CYCLOHEXEN-1-ONE, 4-HYDROXY-2-METHYL-5-(1-METHYLETHYL)-, (5R)-
244135-17-9
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