XAMOTEROL FUMARATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: N87007N668

Structure
InChI Key LVVMVDRJXOBQNA-WLHGVMLRSA-N
Smile O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/C16H25N3O5.C4H4O4/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19;5-3(6)1-2-4(7)8/h1-4,14,17,20-21H,5-12H2,(H,18,22);1-2H,(H,5,6)(H,7,8)/b;2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H54N6O14
Molecular Weight 794.86
AlogP -0.24
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 103.29
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 24.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1329567
FDA SRS N87007N668
PubChem 6440459
SureChEMBL SCHEMBL1651584
CONTENTS