rosaramicin   Click here for help

GtoPdb Ligand ID: 10855

Synonyms: Antibiotic 67-694 | Antibiotic 67694 | rosamicin | SCH-14947 | SCH14947
Compound class: Synthetic organic
Comment: Rosaramicin is a macrolide antibacterial. It has activity against Neisseria gonorrhoeae, Chlamydia trachomatis, Ureaplasma urealyticum and Mycoplasma hominis.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 135.13
Molecular weight 581.36
XLogP 1.74
No. Lipinski's rules broken 0
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Canonical SMILES O=CC[C@H]1C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O)CC)C
Isomeric SMILES O=CC[C@H]1C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O)CC)C
InChI InChI=1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3369 rosaramicin
Synonyms Click here for help
Antibiotic 67-694 | Antibiotic 67694 | rosamicin | SCH-14947 | SCH14947
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Rosaramicin
Other databases
CAS Registry No. 35834-26-5 (source: WHO INN record)
ChEMBL Ligand CHEMBL8965
GtoPdb PubChem SID 405560296
PubChem CID 6537204
Search Google for chemical match using the InChIKey IUPCWCLVECYZRV-JZMZINANSA-N
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UniChem Compound Search for chemical match using the InChIKey IUPCWCLVECYZRV-JZMZINANSA-N
UniChem Connectivity Search for chemical match using the InChIKey IUPCWCLVECYZRV-JZMZINANSA-N