Basic information
- CAS
100561-24-8- Standard SMILES
CCCN(CCC)C1Cc2c[nH]c3ccc(C(N)=O)c(c23)C1- InChIKey
YTOJFUORFUYGSV-UHFFFAOYSA-N- Molecular formula
- C18H25N3O
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.19976243
Overview
5-hydroxytryptamine receptor agonist; structure given in first source; LY 228729 is the (-)-isomer; LY 228730 is the (+)-isomer
Names & identifiers
- Preferred name
- LY 178210
- IUPAC
- 4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
Names & synonyms
LY 178210114943-19-0LY-178210Benz(cd)indole-6-carboxamide, 4-(dipropylamino)-1,3,4,5-tetrahydro-LY-228730RefChem:1544784-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamideCHEMBL2967534-(Dipropylamino)-1,3,4,5-tetrahydrobenz(cd)indole-6-carboxamideorb1738106SCHEMBL6364891DTXSID20905583
Show more names
YTOJFUORFUYGSV-UHFFFAOYSA-NBDBM50227633L0045094-(di-n-propyl)amino-6-aminocarbonyl-1,3,4,5-tetrahydrobenz[cd]indole4-(Dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboximidic acid100561-24-8
Database identifiers
- CAS
100561-24-8、114943-19-0- PubChem CID
- 60845
- DTXSID
DTXSID20905583- ChEMBL
CHEMBL296753- Nikkaji
- J449.671J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
2 records
Compound notes
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