Basic information
- CAS
149654-41-1- Standard SMILES
CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(C#N)cc3c2C1.Cl- InChIKey
XHLKAMFNZKKRFJ-PKLMIRHRSA-N- Molecular formula
- C19H26ClN3
- Average molar mass
- 331.9 g/mol
- Monoisotopic mass
- 331.1815255
Names & identifiers
- Preferred name
- 3H-Benz(e)indole-2-carbonitrile, 8-(dipropylamino)-6,7,8,9-tetrahydro-, hydrochloride (1:1), (8R)-
- IUPAC
- (8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carbonitrile;hydrochloride
- English name
- U 92016A
- Molecular formula
- C19H26ClN3
- Molecular weight
- 331.89
Names & synonyms
149654-41-13H-Benz(E)indole-2-carbonitrile, 8-(dipropylamino)-6,7,8,9-tetrahydro-, hydrochloride (1:1), (8R)-3H-Benz[e]indole-2-carbonitrile, 8-(dipropylamino)-6,7,8,9-tetrahydro-, hydrochloride (1:1), (8R)-RefChem:283093U 92016AU-92016AU92016A hydrochlorideU-92016A hydrochlorideU92016A (hydrochloride)DSP36A348SU-92,016-A(8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carbonitrile;hydrochloride
Show more names
(R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carbonitrile hydrochloride3H-Benz(E)indole-2-carbonitrile, 8-(dipropylamino)-6,7,8,9-tetrahydro-, monohydrochloride, (8R)-3H-Benz(E)indole-2-carbonitrile, 8-(dipropylamino)-6,7,8,9-tetrahydro-, monohydrochloride, (R)-(R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo(E)indole-2-carbonitrile hydrochlorideUNII-DSP36A348SC19H26ClN3orb1689046CHEMBL5079621
Database identifiers
- CAS
149654-41-1
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 20 mg/ml; Ethanol: 1 mg/ml; PBS (pH 7.2): 0.1 mg/ml
- form
- A crystalline solid
- FDA UNII
- 36 A348S · DSP36A348S
Chemistry & industry
Applications
UsesU 92016A is a selective SR-1A agonist.
Suppliers5 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
0 records
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Compound notes
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