Basic information
- CAS
66302-66-7- Standard SMILES
C/C=C1/CNC2Cc3c([nH]c4ccccc34)C(c3ccc4c5c([nH]c4c3)C3CC4CC(CC)C3N(CC5)C4)CC1C2C(=O)OC- InChIKey
DUPGWICOBMEVNT-FPQMYIDKSA-N- Molecular formula
- C39H46N4O2
- Average molar mass
- 602.8 g/mol
- Monoisotopic mass
- 602.36207672
Names & identifiers
- Preferred name
- Peribogamine
- IUPAC
- methyl (15E)-12-(17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-yl)-15-ethylidene-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Names & synonyms
NSC26770466302-66-7PERIBOGAMINEDTXSID60420386NSC-267704Methyl (5E)-5-ethylidene-8-(ibogamin-13-yl)-2,3,4,5,6,7,8,9-octahydro-1H-2,6-methanoazecino[5,4-b]indole-14-carboxylate
Database identifiers
- CAS
66302-66-7- PubChem CID
- 5476830
- DTXSID
DTXSID60420386
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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