Basic information
- CAS
58167-78-5- Standard SMILES
CCn1c2c(c3ccccc31)CCSC2(C)CCN(C)C.Cl- InChIKey
FJJSKKBQSGDHQK-UHFFFAOYSA-N- Molecular formula
- C18H27ClN2S
- Average molar mass
- 338.9 g/mol
- Monoisotopic mass
- 338.1583477
Overview
See also: Tandamine (has active moiety).
Names & identifiers
- Preferred name
- Tandamine Hydrochloride
- IUPAC
- 2-(9-ethyl-1-methyl-3,4-dihydrothiopyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride
Names & synonyms
TANDAMINE HYDROCHLORIDE58167-78-57516K9UGUGNSC-305532AY23946AY-23946RefChem:1099392Tandamine hydrochloride [USAN]Tandamine hydrochloride, (-)-W7F3645Q8Y84UF2TZX5HUNII-W7F3645Q8Y
Show more names
Tandamine hydrochloride, (+)-2-(9-ethyl-1-methyl-3,4-dihydrothiopyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride1-(2-(Dimethylamino)ethyl)-9-ethyl-1,3,4,9-tetrahydro-1-methylthiopyrano(3,4-b)-indole monohydrochloride60188-75-2Thiopyrano(3,4-b)indole-1-ethanamine, 9-ethyl-1,3,4,9-tetrahydro-N,N,1-trimethyl-, monohydrochlorideThiopyrano(3,4-b)indole-1-ethanamine, 9-ethyl-1,3,4,9-tetrahydro-N,N,1-trimethyl-, monohydrochloride, (-)-AY-23,946Tandamine hydrochloride (USAN)
Database identifiers
- CAS
58167-78-5、60188-75-2、60188-76-3- PubChem CID
- 65474
- ChEMBL
CHEMBL2104802- UNII
- 7516K9UGUG、84UF2TZX5H、W7F3645Q8Y
Properties
Computed structural properties
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Related reactions
5 records
Compound notes
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