54661-82-4
FURBENICILLIN
Name
FURBENICILLIN
Formula
C22 H22 N4 O7 S
MolWeight
486.503
1Identification
【Name】
FURBENICILLIN
【CAS】
【MDL】
MFCD09842876
【English Synonyms】
【Formula】
C22 H22 N4 O7 S
【MolWeight】
486.503
【Inchi】
InChI=1S/C22H22N4O7S/c1-22(2)15(20(30)31)26-18(29)14(19(26)34-22)23-17(28)13(11-7-4-3-5-8-11)24-21(32)25-16(27)12-9-6-10-33-12/h3-10,13-15,19H,1-2H3,(H,23,28)(H,30,31)(H2,24,25,27,32)/t13-,14+,15-,19+/m0/s1
【InChIKey】
InChIKey=AWBJVSUGLZFBOG-QCUYGVNKSA-N
【SMILES】
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](c3ccccc3)NC(=O)NC(=O)c4ccco4)C(=O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:11
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
FURBENICILLIN.cml
Quick Release
6,6-DIBROMOPENICILLANIC ACID
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SULBACTAM PIVOXIL
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SULBACTAM
68373-14-8 ;69388-84-7
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