Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00671
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| Drug Name |
Rifamycin B
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| Synonyms |
4-O-(Carboxymethyl)rifamycin; CHEBI:58306; RIFAMYCIN B; RIFAMYCIN-B; rifamycin B dianion; rifamycin B(2-)
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| Drug Type |
Small molecular drug
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| Structure |
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| 3D MOL | 2D MOL | |||||
| Formula |
C39H47NO14-2
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| Canonical SMILES |
CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)[O-])OCC(=O)[O-])C
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| InChI |
InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/p-2/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1
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| InChIKey |
SQTCRTQCPJICLD-KTQDUKAHSA-L
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| Pharmaceutical Properties | Molecular Weight | 753.8 | Topological Polar Surface Area | 233 | ||
| Heavy Atom Count | 54 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 14 | |||
| XLogP |
6.1
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| PubChem CID | ||||||
| PubChem SID | ||||||
| TTD Drug ID | ||||||
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