Basic information
- CAS
115436-74-3- Standard SMILES
CCN(CC)CCCNC(=O)Cn1ncc(-c2ccccc2)c1-c1ccccc1.O=C(O)/C=C/C(=O)O- InChIKey
KKMOBFCMCCFTDX-WLHGVMLRSA-N- Molecular formula
- C28H34N4O5
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.25292019
Overview
See also: Ipazilide (has active moiety).
Names & identifiers
- Preferred name
- Ipazilide Fumarate
- IUPAC
- (E)-but-2-enedioic acid;N-[3-(diethylamino)propyl]-2-(4,5-diphenylpyrazol-1-yl)acetamide
- English name
- ipazilide fumarate
- Molecular formula
- C24H30N4O.C4H4O4
- Molecular weight
- 506.6
Names & synonyms
IPAZILIDE FUMARATE115436-74-3Win-54177-4WIN 54,177-42MI60P494IDTXSID90207441H-Pyrazole-1-acetamide, N-(3-(diethylamino)propyl)-4,5-diphenyl-, (E)-2-butenedioate (1:1)RefChem:148624DTXCID70744N-(3-diethylaminopropyl)-4,5-diphenyl-1H-pyrazole-1-acetamide(E)-2-butenedioateIpazilide fumarate [USAN]Ipazilide fumarate (USAN)
Show more names
N-(3-(Diethylamino)propyl)-4,5-diphenylpyrazole-1-acetamide fumarate (1:1)(E)-But-2-enedioic acid,N-[3-(diethylamino)propyl]-2-(4,5-diphenylpyrazol-1-yl)acetamideUNII-2MI60P494ICCRIS 7080N-[3-(Diethylamino)propyl]-4,5-diphenylpyrazole-1-acetamide fumarate (1:1)WIN 54177-41H-Pyrazole-1-acetamide, N-[3-(diethylamino)propyl]-4,5-diphenyl-, (2E)-2-butenedioate (1:1)SCHEMBL120490
Database identifiers
- CAS
115436-74-3- PubChem CID
- 5284403
- DTXSID
DTXSID9020744- ChEMBL
CHEMBL2107666- UNII
- 2MI60P494I
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 588
Physicochemical properties
- FDA UNII
- 2 MI60P494I · 2MI60P494I
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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