Basic information
- CAS
70895-39-5- Standard SMILES
CCCCCCCCNCC(O)COc1ccc(SC(C)C)cc1.Cl- InChIKey
QFKMDZYQWDSMPA-UHFFFAOYSA-N- Molecular formula
- C20H36ClNO2S
- Average molar mass
- 390 g/mol
- Monoisotopic mass
- 389.2155283
Overview
See also: Tipropidil (has active moiety).
Names & identifiers
- Preferred name
- Tipropidil Hydrochloride
- IUPAC
- 1-(octylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol;hydrochloride
Names & synonyms
Tipropidil HydrochlorideTipropidil HCl70895-39-534K00NS0TZMJ 12,880-1MJ-12880-1RefChem:190116Tipropidil hydrochloride [USAN]Tipropidil hydrochloride (USAN)1-(p-(Isopropylthio)phenoxy)-3-(octylamino)-2-propanol hydrochloride2-Propanol, 1-(4-((1-methylethyl)thio)phenoxy)-3-(octylamino)-, hydrochlorideUNII-34K00NS0TZ
Show more names
Tripropidil hydrochlorideSCHEMBL123190CHEMBL2107022DTXSID409911851-(octylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol;hydrochlorideMJ-12,880-1D06164Q27256371
Database identifiers
- CAS
70895-39-5- PubChem CID
- 72175
- DTXSID
DTXSID40991185- ChEMBL
CHEMBL2107022- UNII
- 34K00NS0TZ
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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