trivial
PRO-LAD
systemic
(8β)-'N,N'-Diethyl-6-propyl-9,10-didehydroergoline-8-carboxamide
PRO-LAD
systemic
(8β)-'N,N'-Diethyl-6-propyl-9,10-didehydroergoline-8-carboxamide
Identifiers
InChIKey: HZKYLVLOBYNKKM-OXQOHEQNSA-N
Formula: C22H29N3O
CAS Registry numbers:
65527-63-1
Descriptors
Bioavailability-related
Molecular weight: 351.23 DaPartition coefficient: 3.69
H bond donors: 1
H bond acceptors: 4
Rotatable bonds: 6
Molar refractivity: 107.05 J mol-1 K-1
Polar surface area: 39.34 Å2
Generic
Stereocenters: 2Heteroatoms: 4
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 1
Ring-related
Rings: 4Heterocycles: 2
Aromatic rings: 2
Aromatic carbocycles: 1
Aromatic heterocycles: 1
Aliphatic rings: 2
Aliphatic carbocycles: 1
Aliphatic heterocycles: 1