2H-Pyrimido(2',1':3,4)pyrazino(1,2-a)indole, 3,4,6,7-tetrahydro-11-methoxy-, monohydrochloride
Basic information
- CAS
127556-86-9- Standard SMILES
COc1ccc2c(c1)cc1n2CCN2CCCN=C12.Cl- InChIKey
FAXLXEBWCQWGMF-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1138399
Names & identifiers
- Preferred name
- 2H-Pyrimido(2',1':3,4)pyrazino(1,2-a)indole, 3,4,6,7-tetrahydro-11-methoxy-, monohydrochloride
- IUPAC
- 14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride
Names & synonyms
2H-Pyrimido(2',1':3,4)pyrazino(1,2-a)indole, 3,4,6,7-tetrahydro-11-methoxy-, monohydrochloride127556-86-911-Methoxy-2H-3,4,6,7-tetrahydropyrimido(2',1':3,4)pyrazino(1,2-a)indole hydrochlorideDTXSID20155607RefChem:269131DTXCID907809814-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride11-methoxy-3,4,6,7-tetrahydro-2H-pyrimido[2',1':3,4]pyrazino[1,2-a]indole hydrochlorideSMR000011125MLS000071581CHEMBL1497727AKOS024325367
Show more names
ST50447561SR-01000503414SR-01000503414-19-Methoxy-3,4,5,6-tetrahydro-2H-1,4a,6a-triaza-benzo[a]fluorene11-Methoxy-3,4,6,7-tetrahydro-2H-pyrimido[2',1':3,4]pyrazino[1,2-a]indole--hydrogen chloride (1/1)hydron;14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;chloride
Database identifiers
- CAS
127556-86-9- PubChem CID
- 3080187
- DTXSID
DTXSID20155607- ChEMBL
Properties
Computed structural properties
- Topological polar surface area
- 29.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…