Trocimine
Basic information
- CAS
14368-24-2- Standard SMILES
COc1cc(C(=O)N2CCCCCCC2)cc(OC)c1OC- InChIKey
WZSDNEJJUSYNSG-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.17835828
Overview
Trocimine is a small molecule drug. Trocimine has a monoisotopic molecular weight of 307.18 Da.
Names & identifiers
- Preferred name
- Trocimine
- IUPAC
- azocan-1-yl-(3,4,5-trimethoxyphenyl)methanone
- English name
- Trocimine
- Molecular formula
- C17H25NO4
- Molecular weight
- 307.388
Names & synonyms
TrocimineOrigenOrigonTrocimine [INN]TrociminaTrociminumTrociminum [INN-Latin]Trocimina [INN-Spanish]Octahydro-1-(3,4,5-trimethoxybenzoyl)azocineDTXSID1046475N 1157N-(3,4,5-Trimethoxybenzoyl)azacyclooctane
Show more names
1-(3,4,5-Trimethoxybenzoyl)octahydroazocineUNII-8EE22OKO88N-(3,4,5-Trimethoxybenzoyl)heptamethylenimineN-(3,4,5-Trimethoxybenzoyl)heptamethyleneimineNSC 233082NSC-233082BRN 13947558EE22OKO88
Database identifiers
- CAS
14368-24-2- PubChem CID
- 26650
- DTXSID
DTXSID1046475- ChEMBL
CHEMBL1974057- UNII
- 8EE22OKO88
- Nikkaji
- J8.498K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- FDA UNII
- 8 EE22OKO88 · 8EE22OKO88
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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