Basic information
- CAS
1166-34-3- Standard SMILES
CN(C)CCCSc1ccccc1NC(=O)C=Cc1ccccc1- InChIKey
RSUVYMGADVXGOU-UHFFFAOYSA-N- Molecular formula
- C20H24N2OS
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.16093457
Names & identifiers
- Preferred name
- N-[2-[3-(dimethylamino)propylthio]phenyl]-3-phenyl-2-propenamide
- IUPAC
- N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
- English name
- Cinanserin hydrochloride
- Molecular formula
- C20H24N2OS
- Molecular weight
- 340.48
Names & synonyms
TCMDC-125843N-(2-((3-(Dimethylamino)propyl)thio)phenyl)-3-phenylacrylamideSCHEMBL571562CHEMBL533822orb17381302'-(3-dimethylaminopropylthio) cinnamanilideQ27164041N-[2-[3-(dimethylamino)propylthio]phenyl]-3-phenyl-2-propenamideN-(2-{[3-(dimethylamino)propyl]sulfanyl}phenyl)-3-phenylprop-2-enamideDPTCCINANSERINCinanserine
Show more names
DPTC HYDROCHLORIDECinanserin hydrochloride2'-(3-DIMETHYLAMINOPROPYL-THIO)-CINNAMANILIDE HYDROCHLORIDEN-[2-[[3-(Dimethylamino)propyl]thio]phenyl]-3-phenylpropenamideN-[2-[[3-(DIMETHYLAMINO)PROPYL]THIO]PHENYL]-3-PHENYL-2-PROPENAMIDE2-Propenamide, N-[2-[[3-(dimethylamino)propyl]thio]phenyl]-3-phenyl-N-[2-[[3-(DIMETHYLAMINO)PROPYL]THIO]PHENYL]-3-PHENYL-2-PROPENAMIDE HYDROCHLORIDE
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Melting point
- 82 · 82-83 °C
- Boiling point
- 519.5 · 519.5±50.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- RTECS
- 6323000 · UC6323000
- storage temp.
- Desiccate at RT
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.46 · 13.46±0.70(Predicted)
- color
- White to Off-White
- Water Solubility
- 50 mM · Soluble to 50 mM in water
- FDA UNII
- 6 J9OY7A3 · KI6J9OY7A3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312a-P330-P501a
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312a-P330-P501a
Chemistry & industry
Applications
UsesSerotonin inhibitor.
UsesA 5-HT antagonist
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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