Product Identifiers
Catalog # | NX18104 |
CAS Number | 122380-18-1 |
PubChem CID | 180098 |
Chemical Name | Thaxtomin A |
IUPAC Name | (3R,6S)-3-hydroxy-3-[(3-hydroxyphenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione |
InChI | InChI=1S/C22H22N4O6/c1-24-18(10-14-12-23-16-7-4-8-17(19(14)16)26(31)32)20(28)25(2)22(30,21(24)29)11-13-5-3-6-15(27)9-13/h3-9,12,18,23,27,30H,10-11H2,1-2H3/t18-,22+/m0/s1 |
InChIKey | QRDNJYNIEGRRKV-PGRDOPGGSA-N |
SMILES | CN1[C@@H](Cc2c[nH]c3cccc(c23)[N+](=O)[O-])C(=O)N(C)[C@@](O)(Cc4cccc(O)c4)C1=O |
MDL Number | MFCD08457945 |
Specification
MW | 438.4 |
MF | C22H22N4O6 |
Special Remarks | Store at -20¡C |
Manufacturer | Apollo Scientific |
Country of Origin | United Kingdom |