9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-acetyl-1-(3,4-dimethoxybenzyl)-, hydrochloride
Basic information
- CAS
14254-86-5- Standard SMILES
COc1ccc(CC2NCCc3c2[nH]c2ccc(C(C)=O)cc32)cc1OC.Cl- InChIKey
JOGHSKVBOYIYLC-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O3
- Average molar mass
- 400.9 g/mol
- Monoisotopic mass
- 400.1553704
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-acetyl-1-(3,4-dimethoxybenzyl)-, hydrochloride
- IUPAC
- 1-[1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-yl]ethanone;hydrochloride
Names & synonyms
6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride14254-86-59H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-acetyl-1-(3,4-dimethoxybenzyl)-, hydrochlorideRefChem:313653DTXSID309315101-{1-[(3,4-Dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-yl}ethan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
14254-86-5- PubChem CID
- 203382
- DTXSID
DTXSID30931510
Properties
Computed structural properties
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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