rifampicin zwitterion
CHEBI:CHEBI_71365
Definition
A zwitterion obtained by transfer of a proton from the 5-hydroxy group to the tertiary amino group of rifampicin.
Chemical Information
- Molecular Formula
- C43H58N4O12
- Molecular Mass
- 822.94020
- Charge
- 0
- SMILES
- CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(\C=N\N1CC[NH+](C)CC1)c(O)c4c3C2=O
- InChI
- InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
- InChIKey
- JQXXHWHPUNPDRT-WLSIYKJHSA-N
Alternative Names
- rifampicin
- (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-acetoxy-6,9,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-{(E)-[(4-methylpiperazin-4-ium-1-yl)imino]methyl}-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-olate
Drug Classification
-
zwitterionView Class →
CHEBI:27369
-
t280249
Important Medical Information
⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.
- Always consult with a healthcare professional before starting, stopping, or modifying any medication.
- Side effects may vary and this list may not be comprehensive.
- Drug interactions may occur with other medications.
Additional Identifiers
- core#notation
- CHEBI:71365
🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.
Additional Attributes
- oboInOwl#hasOBONamespace
- chebi_ontology
- oboInOwl#id
- CHEBI:71365
- core#notation
- CHEBI:71365
- oboInOwl#inSubset
- http://purl.obolibrary.org/obo/chebi#3_STAR
- chebi#is_tautomer_of
- http://purl.obolibrary.org/obo/CHEBI_28077
- 22-rdf-syntax-ns#type
- http://www.w3.org/2002/07/owl#Class
- owl#someValuesFrom
- t162150
- owl#annotatedSource
- t279937