5874-95-3
AMICYCLINE
Name
AMICYCLINE
Formula
C21 H23 N3 O7
MolWeight
429.427
1Identification
【Name】
AMICYCLINE
【CAS】
【MDL】
MFCD00865111
【English Synonyms】
【Formula】
C21 H23 N3 O7
【MolWeight】
429.427
【Inchi】
InChI=1S/C21H23N3O7/c1-24(2)14-9-6-8-5-7-3-4-10(22)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(23)30/h3-4,8-9,14,25,27-28,31H,5-6,22H2,1-2H3,(H2,23,30)/t8-,9-,14-,21-/m0/s1
【InChIKey】
InChIKey=LRJNBPUJLBQLEI-CROFIWJMSA-N
【SMILES】
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4ccc(c(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:10
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
AMICYCLINE.cml
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