2-Hydroxypropanoic acid-4-{1-hydroxy-2-[(1-phenoxypropan-2-yl)amino]propyl}phenol(1:1)
Basic information
- CAS
58379-21-8- Standard SMILES
CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.CC(O)C(=O)O- InChIKey
HPSNBOLYHJERIY-UHFFFAOYSA-N- Molecular formula
- C21H29NO6
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.19948764
Names & identifiers
- Preferred name
- 2-Hydroxypropanoic acid-4-{1-hydroxy-2-[(1-phenoxypropan-2-yl)amino]propyl}phenol(1:1)
- IUPAC
- 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol;2-hydroxypropanoic acid
Names & synonyms
2-hydroxypropanoic acid- 4-{1-hydroxy-2-[(1-phenoxypropan-2-yl)amino]propyl}phenol(1:1)SCHEMBL3856171Duphaspasmin [veterinary] (TN)HPSNBOLYHJERIY-UHFFFAOYSA-NAKOS030254830D080932-Hydroxypropanoic acid--4-{1-hydroxy-2-[(1-phenoxypropan-2-yl)amino]propyl}phenol (1/1)4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol;2-hydroxypropanoic acid
Database identifiers
- CAS
58379-21-8- PubChem CID
- 94035
- DTXSID
DTXSID40973941
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 358
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Related reactions
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Compound notes
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