Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-hydroxybutyl)-, dl-
Basic information
- CAS
41510-25-2- Standard SMILES
CC(O)CCN1CCN2Cc3[nH]c4ccccc4c3CC2C1- InChIKey
NMGKRCUFVFFCII-UHFFFAOYSA-N- Molecular formula
- C18H25N3O
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.19976243
Names & identifiers
- Preferred name
- Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-hydroxybutyl)-, dl-
- IUPAC
- 4-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-2-ol
Names & synonyms
BRN 062184541510-25-2dl-2-(3-Hydroxybutyl)-1,2,3,4,6,7,12,12a-octahydropyrazino(2',1':6,1)pyrido(3,4-b)indolePyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-hydroxybutyl)-, dl-RefChem:3759804-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1h)-yl)butan-2-olDTXSID10961794
Database identifiers
- CAS
41510-25-2- PubChem CID
- 219007
- DTXSID
DTXSID10961794
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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