Basic information
- CAS
36504-64-0- Standard SMILES
CC(C)c1[nH]c2ccccc2c1C(=O)c1cccnc1- InChIKey
SOOXXPIIPHUERK-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Overview
Nictindole is a small molecule drug. Nictindole has a monoisotopic molecular weight of 264.13 Da.
Names & identifiers
- Preferred name
- Nictindole
- IUPAC
- (2-propan-2-yl-1H-indol-3-yl)-pyridin-3-ylmethanone
- English name
- nictindole
- Molecular formula
- C17H16N2O
- Molecular weight
- 264.32
Names & synonyms
Nictindole36504-64-0NictindolNictindolum2-Isopropylindol-3-yl 3-pyridyl ketoneL-8027L 8027EDK3Z2X1IV2-isopropyl-nicotinyl-indole3-(2-Isopropylindolyl)-3-pyridyl ketoneDTXSID30190004RefChem:165767
Show more names
2-Isopropyl-1H-indol-3-yl(3-pyridyl) ketoneMethanone, [2-(1-methylethyl)-1H-indol-3-yl]-3-pyridinyl-
L8027DTXCID00112495253-070-1Nictindole [INN](2-propan-2-yl-1H-indol-3-yl)-pyridin-3-ylmethanoneNictindol [INN-Spanish]Nictindolum [INN-Latin]EINECS 253-070-1
Database identifiers
- CAS
36504-64-0- PubChem CID
- 65796
- DTXSID
DTXSID30190004- ChEMBL
CHEMBL2105174- UNII
- EDK3Z2X1IV
- EC Number
- 253-070-1
- Nikkaji
- J19.976A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- FDA UNII
- 3 Z2X1IV · EDK3Z2X1IV
Chemistry & industry
Suppliers2 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Shanghai New Union Textra Import & Export Co., Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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