Vobasin
Basic information
- CAS
2134-83-0- Standard SMILES
CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(=O)CC1C2C(=O)OC- InChIKey
TYPMTMPLTVSOBU-UHFFFAOYSA-N- Molecular formula
- C21H24N2O3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.17869263
Overview
Vobasine has been reported in Tabernaemontana eglandulosa, Tabernaemontana elegans, and Hunteria with data available.
Names & identifiers
- Preferred name
- Vobasin
- IUPAC
- methyl 15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Names & synonyms
Vobasin(-)-VobasineNSC267706NSC-267706
Database identifiers
- CAS
2134-83-0- PubChem CID
- 320369
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 616
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Related reactions
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Compound notes
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