Basic information
- CAS
71827-56-0- Standard SMILES
CN(C)CC(O)C(c1ccccc1)c1ccc(Cl)cc1- InChIKey
YXOXPPZXGQCEEG-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO
- Average molar mass
- 289.8 g/mol
- Monoisotopic mass
- 289.123342
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- Clemeprol
- IUPAC
- 1-(4-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol
- English name
- Clemeprol
- Molecular formula
- C17H20ClNO
- Molecular weight
- 0
Names & synonyms
R3TC4SEW5ABrl 14342DTXSID90868035BRL-143423-(3-Chlorphenyl)-1-(dimethylamino)-3-phenyl-2-propanolm-Chloro-alpha-((dimethylamino)methyl)-beta-phenylphenetyl alcoholRefChem:126924DTXCID308161761-(3-Chlorophenyl)-3-(dimethylamino)-1-phenyl-2-propanol71827-56-0Clemeprol1-(4-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol
Show more names
3-dimethylamino-1-m-chlorophenyl-1-phenyl-propan-2-ol3-Chloro-α-[(dimethylamino)methyl]-β-phenylbenzeneethanol
ClemeprolumClemeprol [INN:BAN]CLEMEPROL [INN]UNII-R3TC4SEW5AClemeprolum [INN-Latin]SCHEMBL499765CHEMBL547048YXOXPPZXGQCEEG-UHFFFAOYSA-N
Database identifiers
- CAS
71827-56-0- PubChem CID
- 71985
- DTXSID
DTXSID90868035- ChEMBL
CHEMBL2106077、CHEMBL547048- UNII
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- FDA UNII
- 3 TC4SEW5A · R3TC4SEW5A
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
3 records
Compound notes
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