1110-80-1
PIPACYCLINE
Name
PIPACYCLINE
Formula
C29 H38 N4 O9
MolWeight
586.638
1Identification
【Name】
PIPACYCLINE
【CAS】
【MDL】
MFCD00864861
【English Synonyms】
【Formula】
C29 H38 N4 O9
【MolWeight】
586.638
【Inchi】
InChI=1S/C29H38N4O9/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40)/t16-,17-,22-,28+,29-/m0/s1
【InChIKey】
InChIKey=XATZHCXBMKRRDO-REHNUXHNSA-N
【SMILES】
C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)NCN5CCN(CC5)CCO)O)N(C)C)O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:13
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PIPACYCLINE.cml
Quick Release
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