| CAS Number | 78822-40-9 |
| Catalog Number | AG008NNK(AGN-PC-0UDS20) |
| Chemical Name | Pirlimycin (hydrochloride) |
| IUPAC Name | N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-ethylpiperidine-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C17H31ClN2O5S.ClH/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3;/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24);1H |
| InChI Key | DPVJWUUBZWFDPG-UHFFFAOYSA-N |
| MDL Number | MFCD27952783 |
| Molecular Formula | C17H32Cl2N2O5S |
| Molecular Weight | 447.4174 |
| SMILES | [C@]([H])([C@]1([H])[C@H](O)[C@H](O)[C@@H](O)[C@@H](SC)O1)([C@@H](Cl)C)NC([C@H]1NCC[C@@H](CC)C1)=O.Cl |
| Synonyms | Pirlimycin Hydrochloride,
78822-40-9,
CTK8G2447,
AKOS030255126,
Pirlimycin,
Pirsue,
UNII-M5OP0556CW,
C17H31ClN2O5S.ClH,
C17-H31-Cl-N2-O5-S.Cl-H,
U 57930E,
U-57930E,
cis-4-Ethyl-L-picecolic acid amide of 7-deoxy-7(S)chloromethylthio lincosaminide hydrochloride,
L-threo-.alpha.-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-4-ethyl-2-piperidinyl]carbonyl]amino]-1-thio-, monohydrochloride,
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| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 446.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 447.412g/mol |
| Monoisotopic Mass | 446.141g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 136A^2 |
| Undefined Atom Stereocenter Count | 9 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number