Moctamide
Basic information
- CAS
29619-86-1- Standard SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccc1- InChIKey
GSPPFJJUCULBDC-FOCYRBLYSA-N- Molecular formula
- C33H47NO
- Average molar mass
- 473.7 g/mol
- Monoisotopic mass
- 473.36576512
Overview
Moctamide is a small molecule drug. Moctamide has a monoisotopic molecular weight of 473.37 Da.
Names & identifiers
- Preferred name
- Moctamide
- IUPAC
- (9Z,12Z)-N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]octadeca-9,12-dienamide
- English name
- Moctamide
- Molecular formula
- C33H47NO
- Molecular weight
- 473.73
Names & synonyms
Moctamide29619-86-1MoctamidaMoctamidumTN4C52M5ZTDTXSID001043374(-)-N-(p-Methyl-alpha-phenylphenethyl)linoleamide(-)-N-(alpha-phenyl-beta-(4-tolyl)ethyl)linoleamideNSC-309468RefChem:159284DTXCID001525954Moctamide [INN]
Show more names
NSC309468(9Z,12Z)-N-[(S)-2-(4-Methylphenyl)-1-phenylethyl]-9,12-octadecadienamide9,12-Octadecadienamide, N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]-, (9Z,12Z)-
(9Z,12Z)-N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]octadeca-9,12-dienamideMoctamidum [INN-Latin]Moctamida [INN-Spanish]UNII-TN4C52M5ZTAHR 3108NSC 309468MOCTAMIDE [JAN](-)-N-(p-Methyl-.alpha.-phenylphenethyl)linoleamide
Database identifiers
- CAS
29619-86-1- PubChem CID
- 6436044
- DTXSID
DTXSID001043374- ChEMBL
CHEMBL2105100- UNII
- TN4C52M5ZT
- Nikkaji
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 18
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- Boiling point
- 625.9 · 625.9±54.0 °C(Predicted)
- Density
- 0.966 · 0.966±0.06 g/cm3(Predicted)
- pka
- 15.35 · 15.35±0.46(Predicted)
- FDA UNII
- 4 C52M5ZT · TN4C52M5ZT
Chemistry & industry
Applications
UsesMoctamide is used as an inhibitor of cholesterol absorption.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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