Catalog Number |
ACM1301638425 |
CAS |
1301638-42-5 |
Description |
Phidianidine B is a highly cytotoxic 1,2,4-oxadiazole marine metabolite. |
IUPAC Name |
2-[5-[[5-(1H-Indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]amino]pentyl]guanidine |
Molecular Weight |
341.4 |
Canonical SMILES |
C1=CC=C2C(=C1)C(=CN2)CC3=NC(=NO3)NCCCCCN=C(N)N |
InChI |
InChI=1S/C17H23N7O/c18-16(19)20-8-4-1-5-9-21-17-23-15(25-24-17)10-12-11-22-14-7-3-2-6-13(12)14/h2-3,6-7,11,22H,1,4-5,8-10H2,(H,21,24)(H4,18,19,20) |
InChI Key |
DDXQZNQMFITAGA-UHFFFAOYSA-N |
Purity |
95%+ |
Complexity |
429 |
Covalently-Bonded Unit Count |
1 |
Defined Atom Stereocenter Count |
0 |
Exact Mass |
341.19640838 |
Heavy Atom Count |
25 |
Monoisotopic Mass |
341.19640838 |
Physical State |
Powder |
Storage Conditions |
Powder: -20°C for 3 years In solvent: -80°C for 2 years |
Topological Polar Surface Area |
131 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.