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N-Demethyl Rifampin , CAS No.13292-45-0
Basic Description
Synonyms | NSC 143416 | 4-N-Demethylrifampicin | 3-((1-Piperazinylimino)methyl)rifampicin | N-Demethylrifampin | Rifampicin, D-methyl | N-Demethyl Rifampin | Demethylrifampicin | [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-2,15,17,27,29-pentahydroxy-11-methoxy- |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Product Description | N-Demethyl Rifampin is a metabolite of Rifampicin . |
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Names and Identifiers
IUPAC Name | [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-26-[(E)-piperazin-1-yliminomethyl]-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate |
INCHI | InChI=1S/C42H56N4O12/c1-20-11-10-12-21(2)41(54)45-32-27(19-44-46-16-14-43-15-17-46)36(51)29-30(37(32)52)35(50)25(6)39-31(29)40(53)42(8,58-39)56-18-13-28(55-9)22(3)38(57-26(7)47)24(5)34(49)23(4)33(20)48/h10-13,18-20,22-24,28,33-34,38,43,48-52H,14-17H2,1-9H3,(H,45,54)/b11-10+,18-13+,21-12+,44-19+/t20-,22+,23+,24+,28-,33-,34+,38+,42-/m0/s1 |
InChi Key | FKKVFHDDYXJFFL-MOSFFKILSA-N |
Canonical SMILES | CC1C=CC=C(C(=O)NC2=C(C(=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)O)C=NN5CCNCC5)C |
Isomeric SMILES | C[C@H]1/C=C/C=C(/C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCNCC5)\C |
RTECS | KD1923000 |
PubChem CID | 135554537 |
Molecular Weight | 808.91 |
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Chemical and Physical Properties
Solubility | Soluble in chloroform (slightly), and methanol (slightly). |
Refractive Index | n20D1.62 (Predicted) |
Boil Point(°C) | ~945.5° C at 760 mmHg (Predicted) |
Melt Point(°C) | >185° C (dec.) |
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