Basic information
- CAS
122830-14-2- Standard SMILES
CCCC1(C2=NCCN2)Cc2cccc3c2N1CC3- InChIKey
BADQRNHAZHSOKC-UHFFFAOYSA-N- Molecular formula
- C16H21N3
- Average molar mass
- 255.36 g/mol
- Monoisotopic mass
- 255.17354768
Overview
a selective peripheral alpha2-adrenoceptor antagonist
Names & identifiers
- Preferred name
- Deriglidole
- IUPAC
- 3-(4,5-dihydro-1H-imidazol-2-yl)-3-propyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
- English name
- deriglidole
- Molecular formula
- C16H21N3
- Molecular weight
- 255.363
Names & synonyms
Deriglidole122830-14-2deriglidol68EP8R4PMVDTXSID40869678deriglidolumRefChem:132052DTXCID30817623SL 86.0175SL-86.0175Deriglidole [INN]3-(4,5-dihydro-1H-imidazol-2-yl)-3-propyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
Show more names
Deriglidole, 10 mM in DMSO
SL 86-0715(+)-1,2,4,5-Tetrahydro-2-(2-imidazolin-2-yl)-2-propylpyrrolo(3,2,1-hi)indoleUNII-68EP8R4PMVSCHEMBL111355orb1709898CHEMBL2107612XEA83014AKOS040732953
Database identifiers
- CAS
122830-14-2- PubChem CID
- 65945
- DTXSID
DTXSID40869678- ChEMBL
CHEMBL2107612- UNII
- 68EP8R4PMV
- Nikkaji
- J534.365H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 456.4 · 456.4±34.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 10.17 · 10.17±0.40(Predicted)
- FDA UNII
- 68 EP8R4PMV · 68EP8R4PMV
Chemistry & industry
Applications
UsesDeriglidole is a peripheral adrenoceptor antagonist with a high affinity for α2-adrenoceptors.
Suppliers8 total
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [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+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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