55530-41-1
ROTAMICILLIN
Name
ROTAMICILLIN
Formula
C28 H31 N5 O5 S
MolWeight
549.649
1Identification
【Name】
ROTAMICILLIN
【CAS】
【MDL】
MFCD00868475
【English Synonyms】
【Formula】
C28 H31 N5 O5 S
【MolWeight】
549.649
【Inchi】
InChI=1S/C28H31N5O5S/c1-28(2)22(27(37)38)33-25(36)21(26(33)39-28)32-24(35)20(17-7-4-3-5-8-17)31-19(34)15-16-9-11-18(12-10-16)23-29-13-6-14-30-23/h3-5,7-12,20-22,26H,6,13-15H2,1-2H3,(H,29,30)(H,31,34)(H,32,35)(H,37,38)/t20-,21-,22+,26-/m1/s1
【InChIKey】
InChIKey=PXNNCSKFUDOUJS-ZUVQJFRASA-N
【SMILES】
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)NC(=O)Cc4ccc(cc4)C5=NCCCN5)C(=O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:10
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ROTAMICILLIN.cml
Quick Release
6,6-DIBROMOPENICILLANIC ACID
24138-27-0 ;24158-88-1
BROBACTAM
26631-90-3
ALMECILLIN
87-09-2
TAZOBACTAM
89786-04-9
SULBACTAM PIVOXIL
69388-79-0
SULBACTAM
69388-84-7 ;68373-14-8
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Youchemicals Limited
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