General Information
Drug ID
DR01192
Drug Name
Midecamycin
Synonyms
35457-80-8; AC1NTK8S; Antibiotic SF 837; Antibiotic SF-837; Antibiotic YL 704B1; Antibitotic YL-704 B1; HMS1568O08; LEUCOMYCIN V - RELATED TO D239737 - MEIJI SEIKA; Leucomycin V,4B-dipropanoate; Medemycin; Mydecamycin; NSC-154011; NSC154011; Prestwick2_000153; Prestwick_515; SF 837; Turimycin P3; YL 704 B1; midecamycin
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Formula
C41H67NO15
Canonical SMILES
CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C
InChI
InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25?,26?,27+,28+,29-,33?,34?,35?,36?,37+,38+,39?,40?,41?/m1/s1
InChIKey
DMUAPQTXSSNEDD-KTNMPIKDSA-N
CAS Number
CAS 35457-80-8
Pharmaceutical Properties Molecular Weight 814 Topological Polar Surface Area 206
Heavy Atom Count 57 Rotatable Bond Count 14
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 16
XLogP
2.6
PubChem CID
5382853
PubChem SID
10321500 ,103913993 ,113941663 ,179149079 ,39399810 ,433263 ,47574788 ,50171070 ,57362600 ,92125252
TTD Drug ID
D0J7OG

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