Basic information
- CAS
20069-07-2- Standard SMILES
c1ccc2c3c([nH]c2c1)[C@@H]1CCN2CCC[C@@H]2N1CC3- InChIKey
MQDDWIVNNZPOCB-HOTGVXAUSA-N- Molecular formula
- C17H21N3
- Average molar mass
- 267.37 g/mol
- Monoisotopic mass
- 267.17354768
Overview
Elaeocarpidine is a member of beta-carbolines.
Names & identifiers
- Preferred name
- Elaeocarpidine
- IUPAC
- (1S,14S)-3,13,18-triazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-2(10),4,6,8-tetraene
Names & synonyms
Elaeocarpidine20069-07-2NSC608986(1S,14S)-3,13,18-triazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-2(10),4,6,8-tetraeneNSC-608986C10590CHEBI:4765SCHEMBL30229697DTXSID60110837277646-17-4Q27106469Pyrrolo[2'',3']pyrimido[1',6':1,2]pyrido[3,4-b]indole, 1,2,3,3a,5,6,11,1b,12,13-decahydro-, cis-
Show more names
Pyrrolo[2,1:2',3']pyrimido[1',6':1,2]pyrido[3,4-b]indole, 1,2,3,3a,5,6,11,1b,12,13-decahydro-, cis-rel-(3aR,11bR)-1,2,3,3a,5,6,11,11b,12,13-Decahydropyrrolo[2a(2)a(2),1a(2)a(2):2a(2),3a(2)]pyrimido[1a(2),6a(2):1,2]pyrido[3,4-b]indole
Database identifiers
- CAS
20069-07-2、77646-17-4- PubChem CID
- 355436
- DTXSID
DTXSID601108372- ChEBI
CHEBI:4765- Nikkaji
- J238.413B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 22.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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