Beloranib
[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate
Molecular Identity
Beloranib
[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate
PubChem CID: 6918502
Beloranib is a cinnamate ester.
2D Structure
Properties
C29H41NO6
Molecular Formula
499.60
Molecular Weight
g/mol
499.2934
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
73.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
815
Complexity
SMILES
Canonical SMILES
SMILES: CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC4=CC=C(C=C4)OCCN(C)C)OC)CIsomeric SMILES
SMILES: CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C4=CC=C(C=C4)OCCN(C)C)OC)CSynonyms(20)
Beloranib251111-30-5Beloranib [INN]ZGN-433ZGN-440ZGN 440O-[4-(2-Dimethylaminoethoxy)-trans-cinnamoyl]fumagillolFI471K8BU6(3R,4S,5S,6R)-5-Methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro(2.5)octan-6-yl (2E)-3-(4-(2-(dimethylamino)ethoxy)phenyl)prop-2-enoateBELORANIB [WHO-DD]O-(4-(2-Dimethylaminoethoxy)-trans-cinnamoyl)fumagillolDTXSID40179800(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl (2E)-3-{4-[2-(dimethylamino)ethoxy]phenyl}prop-2-enoate[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-(2-dimethylaminoethoxy)phenyl]prop-2-enoatebeloranibum
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Beloranib
Loading drug network...