Basic information
- CAS
61018-01-7- Standard SMILES
CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O.CO- InChIKey
JAABSNXFAZRINX-UHFFFAOYSA-N- Molecular formula
- C21H30N2O3
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.22564282
Names & identifiers
- Preferred name
- 13-Ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol;methanol
- IUPAC
- 13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol;methanol
Names & synonyms
NSC23892561018-01-7DTXSID80330271NSC-238925Ajmalan-17,21-diol--methanol (1/1)
Database identifiers
- CAS
61018-01-7- PubChem CID
- 428491
- DTXSID
DTXSID80330271
Properties
Computed structural properties
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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