1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one
Basic information
- CAS
15191-27-2- Standard SMILES
O=c1cccc2n1CC1CNCC2C1- InChIKey
ANJTVLIZGCUXLD-UHFFFAOYSA-N- Molecular formula
- C11H14N2O
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.11061307
Overview
LSM-22634 is an alkaloid.
Names & identifiers
- Preferred name
- 1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one
- IUPAC
- 7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
- English name
- Cytisine
- Molecular formula
- C11H14N2O
- Molecular weight
- 190.24
Names & synonyms
15191-27-2RefChem:10519001,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one(-)-CytisineBABTITOSINE1,2,3,4,5,6-hexahydro-1,5-methano-pyrido-[1,2-a][1,5]diazocin-8-one1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one7,11-Diazatricyclo[7.3.1.0(2,7)]trideca-2,4-dien-6-oneNSC6855247,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-oneCytisine-(-)
Show more names
SBB003656AIDS064984C2899_SIGMAAIDS-064984TOS-BB-0709ACon1_000319NCI60_003868
1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2- a][1,5]diazocin-8-one1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R)-SMR000677926MLS003171607Cytisine; Sophorine; BaptitoxineNSC407282ALBB-006069
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 332
Experimental & physicochemical properties
Solubility>28.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.24 · 1.24
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314-H225
- Precautionary statements
- 501 · P501-P261-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS02
- Hazard statements
- H302+H312+H332-H314-H225
- Precautionary statements
- P501-P261-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Chemistry & industry
Additional notes
DefinitionChEBI: LSM-22634 is an alkaloid.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…