Basic information
- CAS
4774-53-2- Standard SMILES
CN(C)CCSC(=O)N1c2ccccc2C(C)(C)c2ccccc21- InChIKey
QXRUCDDVUMKOPI-UHFFFAOYSA-N- Molecular formula
- C20H24N2OS
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.16093457
Overview
Botiacrine is a small molecule drug. Botiacrine has a monoisotopic molecular weight of 340.16 Da.
Names & identifiers
- Preferred name
- Botiacrine
- IUPAC
- S-[2-(dimethylamino)ethyl] 9,9-dimethylacridine-10-carbothioate
- English name
- Botiacrine
- Molecular formula
- C20H24N2OS
- Molecular weight
- 340.48
Names & synonyms
BotiacrineBotiacrine [INN]4774-53-2BotiacrinumBotiacrinoBotiacrinum [INN-Latin]Botiacrino [INN-Spanish]botiacrinaMo 876UNII-032WJR708QS-(2-(Dimethylamino)ethyl)-9,9-dimethyl-10-acridancarbothioate032WJR708Q
Show more names
10-[2-(Dimethylamino)ethylthiocarbonyl]-9,9-dimethylacridanS-(2-dimethylaminoethyl) 9,9-dimethylacridine-10-carbothioate9,9-dimethylacridine-10-carbothioic acid S-(2-dimethylaminoethyl) ester10(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-[2-(dimethylamino)ethyl] ester
S-(2-(Dimethylamino)ethyl) 9,9-dimethyl-10(9H)-acridinecarbothioate10-Acridancarbothioic acid, 9,9-dimethyl-, S-(2-(dimethylamino)ethyl) esterBotiacrinum (INN-Latin)Botiacrino (INN-Spanish)10(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-(2-(dimethylamino)ethyl) esterRefChem:121082S-[2-(dimethylamino)ethyl] 9,9-dimethylacridine-10-carbothioates-[2-(dimethylamino)ethyl] 9,9-dimethylacridine-10(9h)-carbothioate
Database identifiers
- CAS
4774-53-2
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Boiling point
- 450.2 · 450.2±55.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 8.46 · 8.46±0.28(Predicted)
- FDA UNII
- 32 WJR708Q · 032WJR708Q
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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