Tetrahydrosecaminediol
Basic information
- CAS
80998-12-5- Standard SMILES
CCC1CCCN(CCc2c(C3(CO)CCC(CO)c4c(CCN5CCCC(CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1- InChIKey
JUIDNHMRFHXGSO-UHFFFAOYSA-N- Molecular formula
- C40H56N4O2
- Average molar mass
- 624.9 g/mol
- Monoisotopic mass
- 624.44032704
Names & identifiers
- Preferred name
- Tetrahydrosecaminediol
- IUPAC
- [10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-6-(hydroxymethyl)-8,9-dihydro-7H-pyrido[1,2-a]indol-9-yl]methanol
Names & synonyms
TetrahydrosecaminediolDTXSID0031904380998-12-5RefChem:188707DTXCID60270166NSC338701SECAMINEDIOL,TETRAHYDRO K206NSC-338701(10-[2-(3-Ethylpiperidin-1-yl)ethyl]-6-{3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl}-6,7,8,9-tetrahydropyrido[1,2-a]indole-6,9-diyl)dimethanol
Database identifiers
- CAS
80998-12-5- PubChem CID
- 334274
- DTXSID
DTXSID00319043- ChEMBL
CHEMBL501790
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 966
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…