Iomethin
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Basic information
- CAS
17127-81-0- Standard SMILES
CN(C)CCCNc1ccnc2cc(I)ccc12- InChIKey
XKUMTLINEKGTOG-UHFFFAOYSA-N- Molecular formula
- C14H18IN3
- Average molar mass
- 355.22 g/mol
- Monoisotopic mass
- 355.05455
Overview
diagnostic aid in determining malignant melanoma; RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Iomethin
- IUPAC
- N-(7-iodoquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
- English name
- iomethin
- Molecular formula
- C14H18IN3
- Molecular weight
- 355.22
Names & synonyms
Iomethin17127-81-082L4S53HZF4-(3-Dimethylaminopropylamino)-7-iodoquinolineDTXSID90169054RefChem:148591DTXCID7091545UNII-82L4S53HZFNM-1131,3-Propanediamine, N-(7-iodo-4-quinolinyl)-N',N'-dimethyl-CHEMBL2110614SCHEMBL11883123
Show more names
NS001266447-iodo-4-(3-dimethylaminopropylamino)quinolineQ272693374-((3-(DIMETHYLAMINO)PROPYL)AMINO)-7-IODOQUINOLINEQUINOLINE, 4-((3-(DIMETHYLAMINO)PROPYL)AMINO)-7-IODO-1,3-PROPANEDIAMINE, N'-(7-IODO-4-QUINOLINYL)-N,N-DIMETHYL-1,3-PROPANEDIAMINE, N3-(7-IODO-4-QUINOLINYL)-N1,N1-DIMETHYL-N~3~-(7-Iodoquinolin-4-yl)-N~1~,N~1~-dimethylpropane-1,3-diamine
Database identifiers
- CAS
17127-81-0- PubChem CID
- 28212
- DTXSID
DTXSID90169054- ChEMBL
CHEMBL2110614- UNII
- 82L4S53HZF
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- FDA UNII
- 82 L4S53HZF · 82L4S53HZF
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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