Basic information
- CAS
15301-96-9- Standard SMILES
CCN(CC)CCOC(=O)Cc1cc(I)c(Oc2ccc(OC)c(I)c2)c(I)c1- InChIKey
CNFICQVPDNZAHK-UHFFFAOYSA-N- Molecular formula
- C21H24I3NO4
- Average molar mass
- 735.1 g/mol
- Monoisotopic mass
- 734.884
Overview
Thyromedan is a small molecule drug. The usage of the INN stem '-dan' in the name indicates that Thyromedan is a cardiac stimulant, pimobendan derivative. Thyromedan has a monoisotopic molecular weight of 734.88 Da.
Names & identifiers
- Preferred name
- Thyromedan
- IUPAC
- 2-(diethylamino)ethyl 2-[3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)phenyl]acetate
- English name
- Tyromedan
- Molecular formula
- C21H24I3NO4
- Molecular weight
- 735.13
Names & synonyms
THYROMEDANTYROMEDANTyromedan [INN]tiromedanUNII-9MU67I9K5I9MU67I9K5IDTXSID10165199SKF 13364-ASKF 13364Benzeneacetic acid, 3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)-, 2-(diethylamino)ethyl ester2-(DIETHYLAMINO)ETHYL (3,5-DIIODO-4-(3-IODO-4-METHOXYPHENOXY)PHENYL)ACETATEtyromedanum
Show more names
2-(Diethylamino)ethyl [3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)phenyl]acetateRefChem:189891DTXCID608769015301-96-92-(diethylamino)ethyl 2-[3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)phenyl]acetateCHEMBL2111061SCHEMBL29385284NS00120750
Database identifiers
- CAS
15301-96-9- PubChem CID
- 27191
- DTXSID
DTXSID10165199- ChEMBL
CHEMBL2111061- UNII
- 9MU67I9K5I
- Nikkaji
- J8.548K
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 483
Physicochemical properties
- FDA UNII
- 9 MU67I9K5I · 9MU67I9K5I
Chemistry & industry
Suppliers1 total
上海前衍生物科技有限公司02781293128 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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