Murcko scaffold
Ring system with 6 rings and 29 atoms
46 chemicals on CompoundList share this ring system.
- Rings
- 6
- Scaffold atoms
- 29
- Chemicals
- 46
- With full pages
- 11
Scaffold SMILES
C1CCN(C2CCC3CCC4C5CC(N6CCCCC6)CC5CCC4C3C2)CC1
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 46 of 46 chemicals
Pancuronium bromide
CAS 15500-66-0C35H60Br2N2O4
Vecuronium bromide
CAS 50700-72-6C34H57BrN2O4
Vecuronium
CAS 86029-43-8C34H57N2O4+
(2beta,3alpha,5alpha,16beta,17beta)-2,16-Di-1-piperidinylandrostane-3,17-diol
CAS 13522-16-2C29H50N2O2
2,16-Dipiperidinoandrostane-3,17-diol dipivalate
CAS 63665-41-8C39H66N2O4
Org 7678
CAS 104855-17-6C32H55BrN2O
Org 7684
CAS 104884-91-5C34H57BrN2O2
Org 7617
CAS 120592-89-4C38H63BrN2O4
3-(Deacetoxy)vecuronium
CAS 85639-52-7C32H55BrN2O2
Org 6368
CAS 58090-64-5C33H58Br2N2O2
(Dideacetoxy)vecuronium
CAS 115952-48-2C30H53BrN2
(Dideacetoxy)pancuronium
CAS 53357-37-2C31H56Br2N2
3-(Deacetoxy)pancuronium
CAS 85639-54-9C33H58Br2N2O2
Org 9616
CAS 119302-18-0C36H61BrN2O4
Dbdad
CAS 73319-20-7C39H68Br2N2O4
2,16-Bis(1-methylpiperidin-1-ium-1-yl)androstane-3,17-diol dibromide
CAS 15500-65-9C31H56Br2N2O2
Desdiacetylpancuronium
CAS 43021-46-1C31H56N2O2+2
Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, diiodide, diacetate
CAS 40571-89-9C35H60I2N2O4
Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, diiodide, 3-alpha-acetate
CAS 40571-90-2C33H58I2N2O3
Dacuronium
CAS 43021-45-0C33H58N2O3+2
3-Deacetyl-17-acetyldacuronium bromide
CAS 41261-71-6C33H58Br2N2O3
3-Desacetylpancuronium
CAS 43021-44-9C33H58N2O3+2
Pancuronium
CAS 16974-53-1C35H60N2O4+2
![Piperidinium, 1,1a(2)-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(1-oxobutoxy)androstane-2,16-diyl]bis[1-methyl- chemical structure, C39H68N2O4+2, CAS 764597-85-5](/s/RBUFMKFCURQZKQ-ZOIQAGDZSA-N.svg)
Piperidinium, 1,1a(2)-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(1-oxobutoxy)androstane-2,16-diyl]bis[1-methyl-
CAS 764597-85-5C39H68N2O4+2
- Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-(2-propynyl)-, dibromide50587-91-2C35H56Br2N2O2
- Piperidinium, 1-allyl-1-(3-alpha,17-beta-diacetoxy-2-beta-piperidino-5-alpha-androstan-16-beta-yl)-, bromide50587-96-7C36H59BrN2O4
- Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-(prop-2-ynyl)-, dibromide, diacetate50587-97-8C39H60Br2N2O4
- 2,16-Bis(1-methylpiperidin-1-ium-1-yl)-3,17-bis(propanoyloxy)androstane dibromide50587-98-9C37H64Br2N2O4
- 17-Hydroxy-2,16-bis(1-methylpiperidin-1-ium-1-yl)-3-(pentanoyloxy)androstane dibromide50588-00-6C36H64Br2N2O3
- 3,17-Bis(acetyloxy)-2,16-bis(1-methylpiperidin-1-ium-1-yl)androstane dibromide50588-02-8C35H60Br2N2O4
- Piperidinium, 1-allyl-1-(3-alpha,17-beta-diacetoxy-2-beta-(1-methylpiperidinio)-5-alpha-androstan-16-beta-yl)-, dibromide50700-73-7C37H62Br2N2O4
- 1 suppliersRapacuronium bromide156137-99-4C37H61BrN2O4
- Rapacuronium465499-11-0C37H61N2O4+
- Desacetylvecuronium bromide73319-13-8C32H55BrN2O3
- 3-Deacetylvecuronium74041-85-3C32H55N2O3+
- Dacuronium bromide27115-86-2C33H58Br2N2O3
- Piperidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl)-1-methyl-, bromide50587-95-6C32H55BrN2O3
- 17-Deacetyl vecuronium784988-81-4C32H55N2O3+
- 1 suppliers3,17-Bis-deacetylvecuronium73319-30-9C30H53BrN2O2
- Desdiacetylvecuronium745736-02-1C30H53N2O2+
- 1 suppliers2beta,16beta-Bis(piperidin-1-yl)-5alpha-androstane-3alpha,17beta-diyl diacetate13529-31-2C33H54N2O4
- (2beta,3alpha,5alpha,16beta,17beta)-2,16-Di-(1-piperidinyl)androstane-3,17-diol 3-Acetate53357-31-6C31H52N2O3
- (2beta,3alpha,5alpha,16beta,17beta)-3-Acetoxy-2,16-di(1-piperidinyl)androstan-17-yl propionate13522-19-5C34H56N2O4
- Pancuronium bromide monohydrate22189-36-2C35H62Br2N2O5
- [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-Hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromideC33H58BrN2O3+
- (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-Hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate13522-24-2C31H52N2O3
Related scaffolds
Same ring framework with different atoms or bond orders
