Basic information
- CAS
53003-81-9- Standard SMILES
CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)N4CCOCC4)[C@H]2C[C@@H]1[C@H]1C(=O)N(CCO)C(=O)[C@H]13- InChIKey
YBWSFBMTGQZOMO-JKMJZXPOSA-N- Molecular formula
- C30H44N2O5
- Average molar mass
- 512.7 g/mol
- Monoisotopic mass
- 512.32502251
Overview
Ivarimod is a small molecule drug. The usage of the INN stem '-imod' in the name indicates that Ivarimod is a immunomodulator, both stimulant/suppressive and stimulant. Ivarimod has a monoisotopic molecular weight of 512.33 Da.
Names & identifiers
- Preferred name
- Ivarimod
- IUPAC
- (1S,4R,5R,9R,10R,12R,13R,17R)-15-(2-hydroxyethyl)-5,9-dimethyl-5-(morpholine-4-carbonyl)-19-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-14,16-dione
- English name
- Ivarimods
- Molecular formula
- C30H44N2O5
- Molecular weight
- 512.68
Names & synonyms
IvarimodIvarimod [INN]IvarimodumIvarimodum [INN-Latin]53003-81-9UNII-191NHP88M6191NHP88M64-(((3aR,3bS,5aR,6R,9aR,9bR,11R,11aR)-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-Hexadecahydro-2-(2-hydroxyethyl)-12-isopropyl-6,9a-dimethyl-1,3-dioxo-3b,11-etheno-3bH-naphth(2,1-e)isoindol-6-yl)carbonyl)morpholineIvarimodum (INN-Latin)Morpholine, 4-((1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-2-(2-hydroxyethyl)-6,9a-dimethyl-12-(1-methylethyl)-1,3-dioxo-3b,11-etheno-3bH-naphth(2,1-e)isoindol-6-yl)carbonyl)-, (3aR-(3a-alpha,3b-beta,5a-alpha,6-alpha,9a-beta,9b-alpha,11-beta,11a-alpha))-RefChem:150238Ru-18492
Show more names
IvarimodsMethanone, [(3aR,3bS,5aR,6R,9aR,9bR,11R,11aR)-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-2-(2-hydroxyethyl)-6,9a-dimethyl-12-(1-methylethyl)-1,3-dioxo-3b,11-etheno-3bH-naphth[2,1-e]isoindol-6-yl]-4-morpholinyl-
RU 18492N-(2-Hydroxyethyl)-maleopimarimidyl morpholideSCHEMBL2111786DTXSID501351669(1S,4R,5R,9R,10R,12R,13R,17R)-15-(2-hydroxyethyl)-5,9-dimethyl-5-(morpholine-4-carbonyl)-19-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-14,16-dioneNS00126833Q27252053
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Boiling point
- 694.7 · 694.7±55.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 14.48 · 14.48±0.10(Predicted)
- FDA UNII
- 191 NHP88M6 · 191NHP88M6
Chemistry & industry
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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